2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]prop-2-enamide Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide CAS Name: 2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-propenamide IUPAC Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-2-[3-nitro-4-(o-cumenylthio)phenyl]acrylamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NCCCN3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NCCCN3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4S/c1-17(2)20-8-4-5-9-22(20)33-23-12-11-19(16-21(23)28(31)32)18(3)25(30)26-13-7-15-27-14-6-10-24(27)29/h4-5,8-9,11-12,16-17H,3,6-7,10,13-15H2,1-2H3,(H,26,30)