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

Systemtic Name: methyl 4-[2-[(4-methylpiperazin-1-yl)carbonylsulfanylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[(4-methylpiperazine-1-carbonyl)sulfanylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[[(4-methyl-1-piperazinyl)-oxomethyl]thio]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-methylpiperazine-1-carbonyl)sulfanylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[(4-methylpiperazine-1-carbonyl)thio]amino]thiazol-4-yl]benzoic acid methyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H20N4O3S2/c1-20-7-9-21(10-8-20)17(23)26-19-16-18-14(11-25-16)12-3-5-13(6-4-12)15(22)24-2/h3-6,11H,7-10H2,1-2H3,(H,18,19)