N-(4-azanylcyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C31H44N4O2S MolecularWeight: 536.77166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(CC1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NC5CCC(CC5)N

InChI

InChI=1S/C31H44N4O2S/c32-25-13-15-26(16-14-25)33-30(36)28-20-27(22-35(28)31(37)29-12-7-19-38-29)34(21-24-10-5-2-6-11-24)18-17-23-8-3-1-4-9-23/h1,3-4,7-9,12,19,24-28H,2,5-6,10-11,13-18,20-22,32H2,(H,33,36)