diethyl 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-o-phenetylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C24H31N3O5S2/c1-5-30-18-11-9-8-10-17(18)26-12-14-27(15-13-26)24(33)25-21-19(22(28)31-6-2)16(4)20(34-21)23(29)32-7-3/h8-11H,5-7,12-15H2,1-4H3,(H,25,33)