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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S2/c1-2-30-23(29)20-17-19(16-18-8-4-3-5-9-18)32-22(20)26-24(31)28-14-12-27(13-15-28)21-10-6-7-11-25-21/h3-11,17H,2,12-16H2,1H3,(H,26,31)