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

Systemtic Name: 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-(o-tolylcarbamothioyl)butanamide CAS Name: 3-methyl-N-[(2-methylanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(2-methylphenyl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-(o-tolylthiocarbamoyl)butyramide Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C13H18N2OS/c1-9(2)8-12(16)15-13(17)14-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H2,14,15,16,17)