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

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-5-nitro-2-phenylsulfanyl-benzamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-5-nitro-2-phenylsulfanyl-benzamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-5-nitro-2-(phenylthio)benzamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-nitro-2-phenylsulfanylbenzamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-5-nitro-2-(phenylthio)benzamide Formula: C27H29N3O6S MolecularWeight: 523.60066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O6S/c1-3-35-24-18-23(29-12-14-34-15-13-29)25(36-4-2)17-22(24)28-27(31)21-16-19(30(32)33)10-11-26(21)37-20-8-6-5-7-9-20/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,28,31)