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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N(C)C

InChI

InChI=1S/C23H28N4O4S2/c1-14-18(22(30)31-5)20(33-19(14)21(29)25(3)4)24-23(32)27-12-10-26(11-13-27)17-8-6-16(7-9-17)15(2)28/h6-9H,10-13H2,1-5H3,(H,24,32)