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

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-8(2)6-12(17)15-13(21)14-10-7-9(16(18)19)4-5-11(10)20-3/h4-5,7-8H,6H2,1-3H3,(H2,14,15,17,21)