1-(4-methylsulfanylphenyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-N-[2-(4-nitroanilino)ethyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-N-[2-(4-nitroanilino)ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-N-[2-(4-nitroanilino)ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-[2-(4-nitroanilino)ethyl]pyrrolidine-3-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-29-18-8-6-16(7-9-18)23-13-14(12-19(23)25)20(26)22-11-10-21-15-2-4-17(5-3-15)24(27)28/h2-9,14,21H,10-13H2,1H3,(H,22,26)