3-nitro-4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylcarbonylphenyl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylcarbonylphenyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]anilino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]thio]-3-nitro-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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