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

Systemtic Name: ethyl 4-ethyl-2-[[4-(4-hydroxyphenyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-(4-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-4-17-14(3)29-19(18(17)20(26)27-5-2)22-21(28)24-12-10-23(11-13-24)15-6-8-16(25)9-7-15/h6-9,25H,4-5,10-13H2,1-3H3,(H,22,28)