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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c21-20(27)14-5-8-17(16(10-14)24(28)29)30-12-18(25)22-11-13-3-6-15(7-4-13)23-9-1-2-19(23)26/h3-8,10H,1-2,9,11-12H2,(H2,21,27)(H,22,25)