methyl 4-[2-[(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzoate dihydrochloride

Systemtic Name: methyl 4-[2-[(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzoate dihydrochloride Openeye Name: methyl 4-[2-[(4-methylpiperazin-1-yl)amino]thiazol-4-yl]benzoate dihydrochloride CAS Name: 4-[2-[(4-methyl-1-piperazinyl)amino]-4-thiazolyl]benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 4-[2-[(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzoate dihydrochloride Traditional Name: 4-[2-[(4-methylpiperazino)amino]thiazol-4-yl]benzoic acid methyl ester dihydrochloride Formula: C16H22Cl2N4O2S MolecularWeight: 405.34248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC.Cl.Cl

InChI

InChI=1S/C16H20N4O2S.2ClH/c1-19-7-9-20(10-8-19)18-16-17-14(11-23-16)12-3-5-13(6-4-12)15(21)22-2;;/h3-6,11H,7-10H2,1-2H3,(H,17,18);2*1H