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

Systemtic Name: ethyl 2-[[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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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=C4O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C25H27N3O3S2/c1-2-31-24(30)20-17-19(16-18-8-4-3-5-9-18)33-23(20)26-25(32)28-14-12-27(13-15-28)21-10-6-7-11-22(21)29/h3-11,17,29H,2,12-16H2,1H3,(H,26,32)