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3-[4'-( 3"-Cyclohexyl-4"-cyclohexylimino-1",3'-thiazetidine-2"-ylideneamino)phenyl]-2-thioxo-1,3-thiazepan-4-one
SpectraBase Compound ID KJGEgf7D8Q6
InChI InChI=1S/C25H32N4OS3/c30-22-12-7-17-32-25(31)28(22)21-15-13-19(14-16-21)27-24-29(20-10-5-2-6-11-20)23(33-24)26-18-8-3-1-4-9-18/h13-16,18,20H,1-12,17H2/b26-23-,27-24+
InChIKey XCLYZOXGVPKFDY-AORWUECESA-N
Mol Weight 500.7 g/mol
Molecular Formula C25H32N4OS3
Exact Mass 500.173825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CnV0BZOZEN
Name 3-[4'-( 3"-Cyclohexyl-4"-cyclohexylimino-1",3'-thiazetidine-2"-ylideneamino)phenyl]-2-thioxo-1,3-thiazepan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N4OS3
InChI InChI=1S/C25H32N4OS3/c30-22-12-7-17-32-25(31)28(22)21-15-13-19(14-16-21)27-24-29(20-10-5-2-6-11-20)23(33-24)26-18-8-3-1-4-9-18/h13-16,18,20H,1-12,17H2/b26-23-,27-24+
InChIKey XCLYZOXGVPKFDY-AORWUECESA-N
Molecular Weight 500.738 g/mol
SMILES C1(N2\C(S\C2=N\C2CCCCC2)=N/c2ccc(N3C(SCCCC3=O)=S)cc2)CCCCC1
SPLASH splash10-01ox-0910000000-8f1fa27e0ad662db2ed9
Source of Spectrum Y-36-1173-6
Synonyms 3-(4-{[(2E,4Z)-3-cyclohexyl-4-(cyclohexylimino)-1,3-thiazetidin-2-ylidene]amino}phenyl)-2-thioxotetrahydro-1,3-thiazepin-4(5H)-one 3-[4'-(3''-Cyclohexyl-4''-cyclohexylimino-1'',3'-thiazetidine-2''-ylideneamino)phenyl]-2-thioxo-1,3-thiazepan-4-one
Wiley ID 762439