N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-N-(3-morpholin-4-ylpropyl)-4-pentyl-benzamide

Systemtic Name: N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methyl]-N-(3-morpholin-4-ylpropyl)-4-pentyl-benzamide Openeye Name: N-(3-morpholinopropyl)-N-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyl]-4-pentyl-benzamide CAS Name: N-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methyl]-N-[3-(4-morpholinyl)propyl]-4-pentylbenzamide IUPAC Name: N-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide Traditional Name: 4-amyl-N-(3-morpholinopropyl)-N-[5-nitro-2-(p-tolylthio)benzyl]benzamide Formula: C33H41N3O4S MolecularWeight: 575.76134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)CC3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)CC3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)C

InChI

InChI=1S/C33H41N3O4S/c1-3-4-5-7-27-10-12-28(13-11-27)33(37)35(19-6-18-34-20-22-40-23-21-34)25-29-24-30(36(38)39)14-17-32(29)41-31-15-8-26(2)9-16-31/h8-17,24H,3-7,18-23,25H2,1-2H3