1-[(4-methylphenyl)methyl-(3-thiophen-2-ylprop-2-enoyl)amino]-N-phenyl-cyclopentane-1-carboxamide

Systemtic Name: 1-[(4-methylphenyl)methyl-(3-thiophen-2-ylprop-2-enoyl)amino]-N-phenyl-cyclopentane-1-carboxamide Openeye Name: N-phenyl-1-[p-tolylmethyl-[3-(2-thienyl)prop-2-enoyl]amino]cyclopentanecarboxamide CAS Name: 1-[(4-methylphenyl)methyl-(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-N-phenyl-1-cyclopentanecarboxamide IUPAC Name: 1-[(4-methylphenyl)methyl-(3-thiophen-2-ylprop-2-enoyl)amino]-N-phenylcyclopentane-1-carboxamide Traditional Name: 1-[(4-methylbenzyl)-[3-(2-thienyl)acryloyl]amino]-N-phenyl-cyclopentanecarboxamide Formula: C27H28N2O2S MolecularWeight: 444.58842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(=O)C=CC2=CC=CS2)C3(CCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN(C(=O)C=CC2=CC=CS2)C3(CCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2S/c1-21-11-13-22(14-12-21)20-29(25(30)16-15-24-10-7-19-32-24)27(17-5-6-18-27)26(31)28-23-8-3-2-4-9-23/h2-4,7-16,19H,5-6,17-18,20H2,1H3,(H,28,31)