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

Systemtic Name: methyl 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(p-tolylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-[(4-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(4-methylbenzyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C21H27N3O2S2/c1-14-5-7-17(8-6-14)13-23-9-11-24(12-10-23)21(27)22-19-18(20(25)26-4)15(2)16(3)28-19/h5-8H,9-13H2,1-4H3,(H,22,27)