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

Systemtic Name: 3-cyclohexylpropyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: 3-cyclohexylpropyl 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(methylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 3-cyclohexylpropyl ester IUPAC Name: 3-cyclohexylpropyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(methylamino)-2-(2-pyridyl)-3-thioxo-propionic acid 3-cyclohexylpropyl ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C1=CC=CC=N1)C(=O)OCCCC2CCCCC2

Isomeric SMILES

CNC(=S)C(C1=CC=CC=N1)C(=O)OCCCC2CCCCC2

InChI

InChI=1S/C18H26N2O2S/c1-19-17(23)16(15-11-5-6-12-20-15)18(21)22-13-7-10-14-8-3-2-4-9-14/h5-6,11-12,14,16H,2-4,7-10,13H2,1H3,(H,19,23)