1-(4-methylphenyl)-5-oxidanylidene-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-thiophen-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-5-oxidanylidene-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-thiophen-2-yl-pyrrolidine-3-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide CAS Name: 1-(4-methylphenyl)-5-oxo-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)-5-oxo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-thiophen-2-ylpyrrolidine-3-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxamide Formula: C27H30N4O3S MolecularWeight: 490.6171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C)C4=CC=CS4

InChI

InChI=1S/C27H30N4O3S/c1-17(2)29-27(34)30-20-10-8-19(9-11-20)16-28-26(33)22-15-24(32)31(21-12-6-18(3)7-13-21)25(22)23-5-4-14-35-23/h4-14,17,22,25H,15-16H2,1-3H3,(H,28,33)(H2,29,30,34)