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

Systemtic Name: methyl 5-(phenylmethyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H24N4O2S2/c1-29-22(28)19-16-18(15-17-7-3-2-4-8-17)31-21(19)25-23(30)27-13-11-26(12-14-27)20-9-5-6-10-24-20/h2-10,16H,11-15H2,1H3,(H,25,30)