3-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3-diazinane-1-carbothioamide

Systemtic Name: 3-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3-diazinane-1-carbothioamide Openeye Name: 3-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)hexahydropyrimidine-1-carbothioamide CAS Name: 3-[(3-chlorophenyl)methyl]-N-[3-(methylthio)phenyl]-1,3-diazinane-1-carbothioamide IUPAC Name: 3-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)-1,3-diazinane-1-carbothioamide Traditional Name: 3-(3-chlorobenzyl)-N-[3-(methylthio)phenyl]hexahydropyrimidine-1-carbothioamide Formula: C19H22ClN3S2 MolecularWeight: 391.98108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N2CCCN(C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3S2/c1-25-18-8-3-7-17(12-18)21-19(24)23-10-4-9-22(14-23)13-15-5-2-6-16(20)11-15/h2-3,5-8,11-12H,4,9-10,13-14H2,1H3,(H,21,24)