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

Systemtic Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H29ClN4O3S2 MolecularWeight: 509.08436

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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=C3)Cl)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN4O3S2/c1-5-26(6-2)21(29)19-15(3)18(22(30)31-4)20(33-19)25-23(32)28-12-10-27(11-13-28)17-9-7-8-16(24)14-17/h7-9,14H,5-6,10-13H2,1-4H3,(H,25,32)