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

Systemtic Name: dimethyl 5-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C22H27N3O5S2/c1-14-17(20(26)29-3)19(32-18(14)21(27)30-4)23-22(31)25-10-8-24(9-11-25)13-15-6-5-7-16(12-15)28-2/h5-7,12H,8-11,13H2,1-4H3,(H,23,31)