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

Systemtic Name: dimethyl 5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC)C

InChI

InChI=1S/C22H27N3O4S2/c1-13-7-6-8-16(14(13)2)24-9-11-25(12-10-24)22(30)23-19-17(20(26)28-4)15(3)18(31-19)21(27)29-5/h6-8H,9-12H2,1-5H3,(H,23,30)