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

Systemtic Name: methyl 4-ethyl-2-[[4-(3-hydroxyphenyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-(3-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[4-(3-hydroxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C

InChI

InChI=1S/C20H25N3O3S2/c1-4-16-13(2)28-18(17(16)19(25)26-3)21-20(27)23-10-8-22(9-11-23)14-6-5-7-15(24)12-14/h5-7,12,24H,4,8-11H2,1-3H3,(H,21,27)