methylcarbamothioyl 5,9-dimethyl-2-pyridin-2-yl-decanoate hydrochloride

Systemtic Name: methylcarbamothioyl 5,9-dimethyl-2-pyridin-2-yl-decanoate hydrochloride Openeye Name: methylcarbamothioyl 5,9-dimethyl-2-(2-pyridyl)decanoate hydrochloride CAS Name: 5,9-dimethyl-2-(2-pyridinyl)decanoic acid [methylamino(sulfanylidene)methyl] ester hydrochloride IUPAC Name: methylcarbamothioyl 5,9-dimethyl-2-pyridin-2-yldecanoate hydrochloride Traditional Name: 5,9-dimethyl-2-(2-pyridyl)capric acid methylthiocarbamoyl ester hydrochloride Formula: C19H31ClN2O2S MolecularWeight: 386.97964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCC(C1=CC=CC=N1)C(=O)OC(=S)NC.Cl

Isomeric SMILES

CC(C)CCCC(C)CCC(C1=CC=CC=N1)C(=O)OC(=S)NC.Cl

InChI

InChI=1S/C19H30N2O2S.ClH/c1-14(2)8-7-9-15(3)11-12-16(17-10-5-6-13-21-17)18(22)23-19(24)20-4;/h5-6,10,13-16H,7-9,11-12H2,1-4H3,(H,20,24);1H