3-(dimethylamino)propyl 2-[(3-methylsulfanylphenyl)amino]pyridine-3-carboxylate hydrochloride

Systemtic Name: 3-(dimethylamino)propyl 2-[(3-methylsulfanylphenyl)amino]pyridine-3-carboxylate hydrochloride Openeye Name: 3-(dimethylamino)propyl 2-(3-methylsulfanylanilino)pyridine-3-carboxylate hydrochloride CAS Name: 2-[3-(methylthio)anilino]-3-pyridinecarboxylic acid 3-(dimethylamino)propyl ester hydrochloride IUPAC Name: 3-(dimethylamino)propyl 2-(3-methylsulfanylanilino)pyridine-3-carboxylate hydrochloride Traditional Name: 2-[3-(methylthio)anilino]nicotinic acid 3-(dimethylamino)propyl ester hydrochloride Formula: C18H24ClN3O2S MolecularWeight: 381.92006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC(=CC=C2)SC.Cl

Isomeric SMILES

CN(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC(=CC=C2)SC.Cl

InChI

InChI=1S/C18H23N3O2S.ClH/c1-21(2)11-6-12-23-18(22)16-9-5-10-19-17(16)20-14-7-4-8-15(13-14)24-3;/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,19,20);1H