4-(3-methylbutylsulfanyl)-3-nitro-N-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[3-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[3-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide Traditional Name: 4-(isoamylthio)-N-[3-(2-keto-2-pyrrolidino-ethoxy)phenyl]-3-nitro-benzamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-17(2)10-13-33-22-9-8-18(14-21(22)27(30)31)24(29)25-19-6-5-7-20(15-19)32-16-23(28)26-11-3-4-12-26/h5-9,14-15,17H,3-4,10-13,16H2,1-2H3,(H,25,29)