N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-yl]-1-phenyl-cyclohexane-1-carboxamide

Systemtic Name: N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-yl]-1-phenyl-cyclohexane-1-carboxamide Openeye Name: N-[2-[(1-benzyl-4-piperidyl)amino]-1-(cyclohexylmethylsulfanylmethyl)-2-oxo-ethyl]-1-phenyl-cyclohexanecarboxamide CAS Name: N-[3-(cyclohexylmethylthio)-1-oxo-1-[[1-(phenylmethyl)-4-piperidinyl]amino]propan-2-yl]-1-phenyl-1-cyclohexanecarboxamide IUPAC Name: N-[1-[(1-benzylpiperidin-4-yl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]-1-phenylcyclohexane-1-carboxamide Traditional Name: N-[2-[(1-benzyl-4-piperidyl)amino]-1-[(cyclohexylmethylthio)methyl]-2-keto-ethyl]-1-phenyl-cyclohexanecarboxamide Formula: C35H49N3O2S MolecularWeight: 575.84746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)NC2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4(CCCCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)NC2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4(CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C35H49N3O2S/c39-33(36-31-19-23-38(24-20-31)25-28-13-5-1-6-14-28)32(27-41-26-29-15-7-2-8-16-29)37-34(40)35(21-11-4-12-22-35)30-17-9-3-10-18-30/h1,3,5-6,9-10,13-14,17-18,29,31-32H,2,4,7-8,11-12,15-16,19-27H2,(H,36,39)(H,37,40)