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

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-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)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)C)C(=O)NCCN

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)C)C(=O)NCCN

InChI

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