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

Systemtic Name: methyl 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC)C

InChI

InChI=1S/C19H23N3O2S2/c1-13-5-4-6-16(14(13)2)21-8-10-22(11-9-21)19(25)20-15-7-12-26-17(15)18(23)24-3/h4-7,12H,8-11H2,1-3H3,(H,20,25)