3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: 3-methyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C13H17N3O3S/c1-8(2)6-12(17)15-13(20)14-11-7-10(16(18)19)5-4-9(11)3/h4-5,7-8H,6H2,1-3H3,(H2,14,15,17,20)