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

Systemtic Name: 1-cyclohexylpropyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: 1-cyclohexylpropyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 1-cyclohexylpropyl ester hydrochloride IUPAC Name: 1-cyclohexylpropyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid 1-cyclohexylpropyl ester hydrochloride Formula: C18H27ClN2O2S MolecularWeight: 370.93718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2S.ClH/c1-3-15(13-9-5-4-6-10-13)22-18(21)16(17(23)19-2)14-11-7-8-12-20-14;/h7-8,11-13,15-16H,3-6,9-10H2,1-2H3,(H,19,23);1H