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1-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(4-fluorocinnamoyl)-2-thiourea
SpectraBase Compound ID 68suedH8k3m
InChI InChI=1S/C19H16FN3OS2/c20-13-8-5-12(6-9-13)7-10-17(24)22-19(25)23-18-15(11-21)14-3-1-2-4-16(14)26-18/h5-10H,1-4H2,(H2,22,23,24,25)/b10-7+
InChIKey SWVPTNPCDRZFLE-JXMROGBWSA-N
Mol Weight 385.48 g/mol
Molecular Formula C19H16FN3OS2
Exact Mass 385.071883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdNanBWqay3
Name 1-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(4-fluorocinnamoyl)-2-thiourea
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Formula C19H16FN3OS2
InChI InChI=1S/C19H16FN3OS2/c20-13-8-5-12(6-9-13)7-10-17(24)22-19(25)23-18-15(11-21)14-3-1-2-4-16(14)26-18/h5-10H,1-4H2,(H2,22,23,24,25)/b10-7+
InChIKey SWVPTNPCDRZFLE-JXMROGBWSA-N
Molecular Weight 385.475 g/mol
SMILES N(c1c(c2CCCCc2s1)C#N)C(=S)NC(=O)\C=C\c1ccc(cc1)F
SPLASH splash10-0fdk-7910000000-b6994f53087d9ef6afe1
Synonyms (E)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide (E)-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide (E)-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide (E)-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-[(2Z)-3-(4-fluorophenyl)-2-propenoyl]thiourea
Wiley ID 1468422