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4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)-1-piperazinecarbothioamide

View entire compound with spectra: 2 NMR

4-(1,3-benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID 8p29eUP6319
InChI InChI=1S/C19H20ClN3O2S/c20-15-2-4-16(5-3-15)21-19(26)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2,(H,21,26)
InChIKey JUSGHZGSDCNUAZ-UHFFFAOYSA-N
Mol Weight 389.9 g/mol
Molecular Formula C19H20ClN3O2S
Exact Mass 389.096476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DX7ymZN8Wru
Name 4-(1,3-Benzodioxol-5-ylmethyl)-N-(4-chlorophenyl)-1-piperazinecarbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.096475768 u
Formula C19H20ClN3O2S
InChI InChI=1S/C19H20ClN3O2S/c20-15-2-4-16(5-3-15)21-19(26)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2,(H,21,26)
InChIKey JUSGHZGSDCNUAZ-UHFFFAOYSA-N
Molecular Weight 389.901 g/mol
SMILES N(C(N1CCN(CC1)CC1=CC=2OCOC2C=C1)=S)C=1C=CC(=CC1)Cl