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

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-3-4-11(16)14-12(19)13-10-7-9(15(17)18)6-5-8(10)2/h5-7H,3-4H2,1-2H3,(H2,13,14,16,19)