[1-(4-methylphenyl)carbonyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [1-(4-methylphenyl)carbonyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [1-(4-methylbenzoyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [1-(4-methylbenzoyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-methylbenzyl)-(2-thenyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C30H36N4O2S MolecularWeight: 516.69744

Click to see the large picture

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)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CC=C(C=C4)C)C(=O)N5CCNCC5

InChI

InChI=1S/C30H36N4O2S/c1-22-5-9-24(10-6-22)19-33(21-27-4-3-17-37-27)26-18-28(30(36)32-15-13-31-14-16-32)34(20-26)29(35)25-11-7-23(2)8-12-25/h3-12,17,26,28,31H,13-16,18-21H2,1-2H3