N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[o-tolylmethyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(2-methylbenzyl)-(2-thenyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC=CC=C3C)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC=CC=C3C)CC4=CC=CS4

InChI

InChI=1S/C28H34N4O2S/c1-20-9-11-22(12-10-20)28(34)32-18-24(16-26(32)27(33)30-14-13-29)31(19-25-8-5-15-35-25)17-23-7-4-3-6-21(23)2/h3-12,15,24,26H,13-14,16-19,29H2,1-2H3,(H,30,33)