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

Systemtic Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C27H31N3O2S2/c1-5-32-26(31)24-23(21-11-7-6-8-12-21)20(4)34-25(24)28-27(33)30-16-14-29(15-17-30)22-13-9-10-18(2)19(22)3/h6-13H,5,14-17H2,1-4H3,(H,28,33)