N,2-bis(3-methylphenyl)-3-(4-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidine-1-carboxamide

Systemtic Name: N,2-bis(3-methylphenyl)-3-(4-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: 3-(4-methylbenzoyl)-N,2-bis(m-tolyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidine-1-carboxamide CAS Name: N,2-bis(3-methylphenyl)-3-[(4-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-thiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: 3-(4-methylbenzoyl)-N,2-bis(3-methylphenyl)-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: N,2-bis(m-tolyl)-5-(piperazine-1-carbonyl)-3-p-toluoyl-4-(2-thienyl)pyrrolidine-1-carboxamide Formula: C36H38N4O3S MolecularWeight: 606.77692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)C)C(=O)NC4=CC=CC(=C4)C)C(=O)N5CCNCC5)C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)C)C(=O)NC4=CC=CC(=C4)C)C(=O)N5CCNCC5)C6=CC=CS6

InChI

InChI=1S/C36H38N4O3S/c1-23-12-14-26(15-13-23)34(41)31-30(29-11-6-20-44-29)33(35(42)39-18-16-37-17-19-39)40(32(31)27-9-4-7-24(2)21-27)36(43)38-28-10-5-8-25(3)22-28/h4-15,20-22,30-33,37H,16-19H2,1-3H3,(H,38,43)