4-(3-methylbutylsulfanyl)-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide Traditional Name: 4-(isoamylthio)-N-[3-(2-ketopyrrolidino)propyl]-3-nitro-benzamide Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCN2CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCCN2CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4S/c1-14(2)8-12-27-17-7-6-15(13-16(17)22(25)26)19(24)20-9-4-11-21-10-3-5-18(21)23/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,20,24)