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

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-methoxyethanoyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-methoxy-1-oxoethyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-methylbenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)COC)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)COC)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C27H38N4O3S/c1-19-5-7-20(8-6-19)15-30(17-24-4-3-13-35-24)23-14-25(31(16-23)26(32)18-34-2)27(33)29-22-11-9-21(28)10-12-22/h3-8,13,21-23,25H,9-12,14-18,28H2,1-2H3,(H,29,33)