4-(4-methylphenyl)sulfanyl-3-nitro-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide Openeye Name: 3-nitro-4-(p-tolylsulfanyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide Traditional Name: 3-nitro-4-(p-tolylthio)-N-[4-(pyrrolidine-1-carbonyl)benzyl]benzamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O4S/c1-18-4-11-22(12-5-18)34-24-13-10-21(16-23(24)29(32)33)25(30)27-17-19-6-8-20(9-7-19)26(31)28-14-2-3-15-28/h4-13,16H,2-3,14-15,17H2,1H3,(H,27,30)