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

Systemtic Name: dimethyl 3-methyl-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(o-tolylmethyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-[(2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(2-methylbenzyl)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:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C22H27N3O4S2/c1-14-7-5-6-8-16(14)13-24-9-11-25(12-10-24)22(30)23-19-17(20(26)28-3)15(2)18(31-19)21(27)29-4/h5-8H,9-13H2,1-4H3,(H,23,30)