N-(2-azanylethyl)-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(3-methoxyphenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[m-anisyl(2-thenoyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C28H32N4O4S MolecularWeight: 520.64308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC(=CC=C3)OC)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC(=CC=C3)OC)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H32N4O4S/c1-19-8-10-21(11-9-19)27(34)32-18-22(16-24(32)26(33)30-13-12-29)31(28(35)25-7-4-14-37-25)17-20-5-3-6-23(15-20)36-2/h3-11,14-15,22,24H,12-13,16-18,29H2,1-2H3,(H,30,33)