4-[[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[2-(4-chlorophenyl)sulfanylethylcarbamothioyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C19H22ClN3OS2 MolecularWeight: 407.98048

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3OS2/c1-21-18(24)15-5-3-14(4-6-15)13-23(2)19(25)22-11-12-26-17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)