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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H31N3O5S2/c1-5-31-22(28)19-16(3)20(23(29)32-6-2)34-21(19)25-24(33)27-12-10-26(11-13-27)15-17-8-7-9-18(14-17)30-4/h7-9,14H,5-6,10-13,15H2,1-4H3,(H,25,33)