methyl 2-[ethyl-[1-(2-methylsulfanylphenyl)piperazin-2-yl]carbonyl-amino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 2-[ethyl-[1-(2-methylsulfanylphenyl)piperazin-2-yl]carbonyl-amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 2-[ethyl-[1-(2-methylsulfanylphenyl)piperazine-2-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 2-[ethyl-[[1-[2-(methylthio)phenyl]-2-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-[ethyl-[1-(2-methylsulfanylphenyl)piperazine-2-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 2-[ethyl-[1-[2-(methylthio)phenyl]piperazine-2-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C22H34ClN3O3S MolecularWeight: 456.04166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1C(=O)OC)C(=O)C2CNCCN2C3=CC=CC=C3SC.Cl

Isomeric SMILES

CCN(C1CCCCC1C(=O)OC)C(=O)C2CNCCN2C3=CC=CC=C3SC.Cl

InChI

InChI=1S/C22H33N3O3S.ClH/c1-4-24(17-10-6-5-9-16(17)22(27)28-2)21(26)19-15-23-13-14-25(19)18-11-7-8-12-20(18)29-3;/h7-8,11-12,16-17,19,23H,4-6,9-10,13-15H2,1-3H3;1H