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

Systemtic Name: methyl 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-5-18-15(3)30-20(19(18)21(27)28-4)23-22(29)25-12-10-24(11-13-25)17-8-6-16(7-9-17)14(2)26/h6-9H,5,10-13H2,1-4H3,(H,23,29)