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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=CC=C3O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=CC=C3O)C

InChI

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