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

Systemtic Name: 4-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl]thio]-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-13-10-15(23-8-2-3-9-23)5-6-16(13)22-19(25)12-29-18-7-4-14(20(21)26)11-17(18)24(27)28/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,21,26)(H,22,25)