methyl 5-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C17H20N4O2S2/c1-12-11-13(16(22)23-2)15(25-12)19-17(24)21-9-7-20(8-10-21)14-5-3-4-6-18-14/h3-6,11H,7-10H2,1-2H3,(H,19,24)