N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C18H17N3OS/c1-12-9-13(2)11-15(10-12)17(22)21-18(23)20-16-5-3-14(4-6-16)7-8-19/h3-6,9-11H,7H2,1-2H3,(H2,20,21,22,23)