3-methyl-N-[(3-nitrophenyl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(3-nitrophenyl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[(3-nitrophenyl)carbamothioyl]butanamide CAS Name: 3-methyl-N-[(3-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(3-nitrophenyl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(3-nitrophenyl)thiocarbamoyl]butyramide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c1-8(2)6-11(16)14-12(19)13-9-4-3-5-10(7-9)15(17)18/h3-5,7-8H,6H2,1-2H3,(H2,13,14,16,19)