N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C17H15N3OS MolecularWeight: 309.3855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H15N3OS/c1-12-4-2-3-5-15(12)16(21)20-17(22)19-14-8-6-13(7-9-14)10-11-18/h2-9H,10H2,1H3,(H2,19,20,21,22)