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

Systemtic Name: diethyl 5-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H29N3O5S2/c1-5-30-21(27)18-15(3)19(22(28)31-6-2)33-20(18)24-23(32)26-12-10-25(11-13-26)16-8-7-9-17(14-16)29-4/h7-9,14H,5-6,10-13H2,1-4H3,(H,24,32)