1-cyclohexylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: 1-cyclohexylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: 1-cyclohexylbutyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 1-cyclohexylbutyl ester hydrochloride IUPAC Name: 1-cyclohexylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid 1-cyclohexylbutyl ester hydrochloride Formula: C19H29ClN2O2S MolecularWeight: 384.96376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCCC1)OC(=O)C(C2=CC=CC=N2)C(=S)NC.Cl

Isomeric SMILES

CCCC(C1CCCCC1)OC(=O)C(C2=CC=CC=N2)C(=S)NC.Cl

InChI

InChI=1S/C19H28N2O2S.ClH/c1-3-9-16(14-10-5-4-6-11-14)23-19(22)17(18(24)20-2)15-12-7-8-13-21-15;/h7-8,12-14,16-17H,3-6,9-11H2,1-2H3,(H,20,24);1H