1-[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-4-piperidino-isonipecotamide Formula: C27H38N6O2S MolecularWeight: 510.69462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H38N6O2S/c28-25(35)27(32-16-8-3-9-17-32)14-18-31(19-15-27)23(34)20-36-26-30-29-24(21-10-4-1-5-11-21)33(26)22-12-6-2-7-13-22/h1,4-5,10-11,22H,2-3,6-9,12-20H2,(H2,28,35)