N1'-phenethyl-N1'-[[1-(thian-4-ylmethyl)piperidin-4-yl]methylcarbamoyl]cyclopentane-1,1-dicarboxamide

Systemtic Name: N1'-phenethyl-N1'-[[1-(thian-4-ylmethyl)piperidin-4-yl]methylcarbamoyl]cyclopentane-1,1-dicarboxamide Openeye Name: N1'-phenethyl-N1'-[[1-(tetrahydrothiopyran-4-ylmethyl)-4-piperidyl]methylcarbamoyl]cyclopentane-1,1-dicarboxamide CAS Name: N1'-[oxo-[[1-(4-thianylmethyl)-4-piperidinyl]methylamino]methyl]-N1'-phenethylcyclopentane-1,1-dicarboxamide IUPAC Name: 1-N'-phenethyl-1-N'-[[1-(thian-4-ylmethyl)piperidin-4-yl]methylcarbamoyl]cyclopentane-1,1-dicarboxamide Traditional Name: N'-phenethyl-N'-[[1-(tetrahydrothiopyran-4-ylmethyl)-4-piperidyl]methylcarbamoyl]cyclopentane-1,1-dicarboxamide Formula: C28H42N4O3S MolecularWeight: 514.72308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N)C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4CCSCC4

Isomeric SMILES

C1CCC(C1)(C(=O)N)C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)CC4CCSCC4

InChI

InChI=1S/C28H42N4O3S/c29-25(33)28(13-4-5-14-28)26(34)32(17-10-22-6-2-1-3-7-22)27(35)30-20-23-8-15-31(16-9-23)21-24-11-18-36-19-12-24/h1-3,6-7,23-24H,4-5,8-21H2,(H2,29,33)(H,30,35)