3-chloranyl-N-[2-cyanoethyl(methyl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-cyanoethyl(methyl)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[2-cyanoethyl(methyl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[2-cyanoethyl(methyl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[2-cyanoethyl(methyl)thiocarbamoyl]benzamide Formula: C12H12ClN3OS MolecularWeight: 281.76118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CN(CCC#N)C(=S)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H12ClN3OS/c1-16(7-3-6-14)12(18)15-11(17)9-4-2-5-10(13)8-9/h2,4-5,8H,3,7H2,1H3,(H,15,17,18)