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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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