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

Systemtic Name: 4-cyclohexylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: 4-cyclohexylbutyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 4-cyclohexylbutyl ester hydrochloride IUPAC Name: 4-cyclohexylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid 4-cyclohexylbutyl ester hydrochloride Formula: C19H29ClN2O2S MolecularWeight: 384.96376

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C1=CC=CC=N1)C(=O)OCCCCC2CCCCC2.Cl

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OCCCCC2CCCCC2.Cl

InChI

InChI=1S/C19H28N2O2S.ClH/c1-20-18(24)17(16-12-5-7-13-21-16)19(22)23-14-8-6-11-15-9-3-2-4-10-15;/h5,7,12-13,15,17H,2-4,6,8-11,14H2,1H3,(H,20,24);1H