N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C28H31N3O6S/c1-4-36-25-18-23(30-12-14-35-15-13-30)26(37-5-2)17-22(25)29-28(32)20-8-11-27(24(16-20)31(33)34)38-21-9-6-19(3)7-10-21/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,29,32)