3-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]propylsulfanyl-cyclohexyl-carbamic acid

Systemtic Name: 3-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]propylsulfanyl-cyclohexyl-carbamic acid Openeye Name: 3-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]propylsulfanyl-cyclohexyl-carbamic acid CAS Name: [3-[4-[2-(4-chlorophenyl)ethyl]-1-piperazinyl]propylthio]-cyclohexylcarbamic acid IUPAC Name: 3-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]propylsulfanyl-cyclohexylcarbamic acid Traditional Name: [3-[4-[2-(4-chlorophenyl)ethyl]piperazino]propylthio]-cyclohexyl-carbamic acid Formula: C22H34ClN3O2S MolecularWeight: 440.04226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C(=O)O)SCCCN2CCN(CC2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)N(C(=O)O)SCCCN2CCN(CC2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H34ClN3O2S/c23-20-9-7-19(8-10-20)11-13-25-16-14-24(15-17-25)12-4-18-29-26(22(27)28)21-5-2-1-3-6-21/h7-10,21H,1-6,11-18H2,(H,27,28)