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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-o-phenetylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C25H34N4O4S2 MolecularWeight: 518.69186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OC)C

InChI

InChI=1S/C25H34N4O4S2/c1-6-27(7-2)23(30)21-17(4)20(24(31)32-5)22(35-21)26-25(34)29-15-13-28(14-16-29)18-11-9-10-12-19(18)33-8-3/h9-12H,6-8,13-16H2,1-5H3,(H,26,34)