N-[(3-cyanophenyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-4-methyl-benzamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-4-methylbenzamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3OS/c1-11-5-7-13(8-6-11)15(20)19-16(21)18-14-4-2-3-12(9-14)10-17/h2-9H,1H3,(H2,18,19,20,21)