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

Systemtic Name: N1'-phenethyl-N1'-[[1-(thian-4-yl)piperidin-4-yl]methylcarbamoyl]cyclopentane-1,1-dicarboxamide Openeye Name: N1'-phenethyl-N1'-[(1-tetrahydrothiopyran-4-yl-4-piperidyl)methylcarbamoyl]cyclopentane-1,1-dicarboxamide CAS Name: N1'-[oxo-[[1-(4-thianyl)-4-piperidinyl]methylamino]methyl]-N1'-phenethylcyclopentane-1,1-dicarboxamide IUPAC Name: 1-N'-phenethyl-1-N'-[[1-(thian-4-yl)piperidin-4-yl]methylcarbamoyl]cyclopentane-1,1-dicarboxamide Traditional Name: N'-phenethyl-N'-[(1-tetrahydrothiopyran-4-yl-4-piperidyl)methylcarbamoyl]cyclopentane-1,1-dicarboxamide Formula: C27H40N4O3S MolecularWeight: 500.6965

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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)C4CCSCC4

Isomeric SMILES

C1CCC(C1)(C(=O)N)C(=O)N(CCC2=CC=CC=C2)C(=O)NCC3CCN(CC3)C4CCSCC4

InChI

InChI=1S/C27H40N4O3S/c28-24(32)27(13-4-5-14-27)25(33)31(17-10-21-6-2-1-3-7-21)26(34)29-20-22-8-15-30(16-9-22)23-11-18-35-19-12-23/h1-3,6-7,22-23H,4-5,8-20H2,(H2,28,32)(H,29,34)