N-(4-methyl-3-nitro-phenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-N-(4-methyl-3-nitro-phenyl)benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-14-8-9-15(12-17(14)23(26)27)21-20(25)16-6-2-3-7-18(16)28-13-19(24)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,25)