3-nitro-4-[2-oxidanylidene-2-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[3-[(2-oxo-1-pyrrolidinyl)methyl]anilino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[3-[(2-ketopyrrolidino)methyl]anilino]ethyl]thio]-3-nitro-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c21-20(27)14-6-7-17(16(10-14)24(28)29)30-12-18(25)22-15-4-1-3-13(9-15)11-23-8-2-5-19(23)26/h1,3-4,6-7,9-10H,2,5,8,11-12H2,(H2,21,27)(H,22,25)