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

Systemtic Name: methyl 3-[[4-(2,5-dimethylphenyl)piperazin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(2,5-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2,5-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=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

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

InChI

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