4-(3-methylbutylsulfanyl)-3-nitro-N-(3-pyrrolidin-1-ylcarbonylphenyl)benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-(3-pyrrolidin-1-ylcarbonylphenyl)benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-16(2)10-13-31-21-9-8-17(15-20(21)26(29)30)22(27)24-19-7-5-6-18(14-19)23(28)25-11-3-4-12-25/h5-9,14-16H,3-4,10-13H2,1-2H3,(H,24,27)