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

Systemtic Name: N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-m-anisoyl-4-[(4-methylbenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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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(=CC=C4)OC)C(=O)NCCN

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O3S/c1-20-8-10-21(11-9-20)17-31(19-25-7-4-14-36-25)23-16-26(27(33)30-13-12-29)32(18-23)28(34)22-5-3-6-24(15-22)35-2/h3-11,14-15,23,26H,12-13,16-19,29H2,1-2H3,(H,30,33)