1-(4-methylphenyl)-5-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-thiophen-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-5-oxidanylidene-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-thiophen-2-yl-pyrrolidine-3-carboxamide Openeye Name: 5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide CAS Name: 1-(4-methylphenyl)-5-oxo-N-[3-(2-oxo-1-azepanyl)propyl]-2-thiophen-2-yl-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-ylpyrrolidine-3-carboxamide Traditional Name: 5-keto-N-[3-(2-ketoazepan-1-yl)propyl]-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCCCN3CCCCCC3=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCCCN3CCCCCC3=O)C4=CC=CS4

InChI

InChI=1S/C25H31N3O3S/c1-18-9-11-19(12-10-18)28-23(30)17-20(24(28)21-7-5-16-32-21)25(31)26-13-6-15-27-14-4-2-3-8-22(27)29/h5,7,9-12,16,20,24H,2-4,6,8,13-15,17H2,1H3,(H,26,31)