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

Systemtic Name: methyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-o-phenetylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC)C

InChI

InChI=1S/C22H29N3O3S2/c1-5-16-15(3)30-20(19(16)21(26)27-4)23-22(29)25-13-11-24(12-14-25)17-9-7-8-10-18(17)28-6-2/h7-10H,5-6,11-14H2,1-4H3,(H,23,29)