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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)OC

InChI

InChI=1S/C21H27N3O2S2/c1-5-16-13-17(20(25)26-4)19(28-16)22-21(27)24-11-9-23(10-12-24)18-8-6-7-14(2)15(18)3/h6-8,13H,5,9-12H2,1-4H3,(H,22,27)