3,4,5-triethoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C24H30N4O7S MolecularWeight: 518.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O7S/c1-4-33-20-13-16(14-21(34-5-2)22(20)35-6-3)23(29)26-24(36)25-17-7-8-18(19(15-17)28(30)31)27-9-11-32-12-10-27/h7-8,13-15H,4-6,9-12H2,1-3H3,(H2,25,26,29,36)