3-methyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]butyramide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S/c1-11(2)9-15(21)18-16(25)17-12-3-4-13(14(10-12)20(22)23)19-5-7-24-8-6-19/h3-4,10-11H,5-9H2,1-2H3,(H2,17,18,21,25)