cyclohexyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate; cyclohexyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate; hydrochloride

Systemtic Name: cyclohexyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate; cyclohexyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate; hydrochloride Openeye Name: cyclohexyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate; cyclohexyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate; hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid cyclohexyl ester; 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid cyclohexyl ester; hydrochloride IUPAC Name: cyclohexyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate; cyclohexyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate; hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid cyclohexyl ester; 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid cyclohexyl ester; hydrochloride Formula: C29H39ClN4O4S2 MolecularWeight: 607.22736

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C1=CC=CC=N1)C(=O)OC2CCCCC2.C1CCC(CC1)OC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OC2CCCCC2.C1CCC(CC1)OC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

InChI

InChI=1S/C15H20N2O2S.C14H18N2O2S.ClH/c1-16-14(20)13(12-9-5-6-10-17-12)15(18)19-11-7-3-2-4-8-11;15-13(19)12(11-8-4-5-9-16-11)14(17)18-10-6-2-1-3-7-10;/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,16,20);4-5,8-10,12H,1-3,6-7H2,(H2,15,19);1H