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

Systemtic Name: N-[(3-cyanophenyl)carbamothioyl]-2-methyl-propanamide Openeye Name: N-[(3-cyanophenyl)carbamothioyl]-2-methyl-propanamide CAS Name: N-[(3-cyanoanilino)-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[(3-cyanophenyl)carbamothioyl]-2-methylpropanamide Traditional Name: N-[(3-cyanophenyl)thiocarbamoyl]-2-methyl-propionamide Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C12H13N3OS/c1-8(2)11(16)15-12(17)14-10-5-3-4-9(6-10)7-13/h3-6,8H,1-2H3,(H2,14,15,16,17)