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

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(4-methylphenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-5-nitro-2-(p-tolylsulfanyl)benzamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-[(4-methylphenyl)thio]-5-nitrobenzamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(4-methylphenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-5-nitro-2-(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=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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