N-[(2-cyanophenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C#N

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C#N

InChI

InChI=1S/C13H15N3OS/c1-9(2)7-12(17)16-13(18)15-11-6-4-3-5-10(11)8-14/h3-6,9H,7H2,1-2H3,(H2,15,16,17,18)