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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(o-tolylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(2-methylbenzyl)piperazine-1-carbothioyl]amino]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)CC3=CC=CC=C3C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3C)C(=O)OC)C

InChI

InChI=1S/C25H34N4O3S2/c1-6-28(7-2)23(30)21-18(4)20(24(31)32-5)22(34-21)26-25(33)29-14-12-27(13-15-29)16-19-11-9-8-10-17(19)3/h8-11H,6-7,12-16H2,1-5H3,(H,26,33)