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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

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