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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H34N4O3S2 MolecularWeight: 502.69246

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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=CC(=C3C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)OC)C

InChI

InChI=1S/C25H34N4O3S2/c1-7-27(8-2)23(30)21-18(5)20(24(31)32-6)22(34-21)26-25(33)29-14-12-28(13-15-29)19-11-9-10-16(3)17(19)4/h9-11H,7-8,12-15H2,1-6H3,(H,26,33)