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

Systemtic Name: methyl 5-(diethylcarbamoyl)-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-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H32N4O4S2 MolecularWeight: 516.67598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)OC)C

InChI

InChI=1S/C25H32N4O4S2/c1-6-27(7-2)23(31)21-16(3)20(24(32)33-5)22(35-21)26-25(34)29-14-12-28(13-15-29)19-10-8-18(9-11-19)17(4)30/h8-11H,6-7,12-15H2,1-5H3,(H,26,34)