2,2-dimethyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]propionamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-16(2,3)14(21)18-15(25)17-11-4-5-12(13(10-11)20(22)23)19-6-8-24-9-7-19/h4-5,10H,6-9H2,1-3H3,(H2,17,18,21,25)