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

Systemtic Name: methyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H31ClN4O3S2 MolecularWeight: 523.11094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O3S2/c1-6-27(7-2)22(30)20-16(4)19(23(31)32-5)21(34-20)26-24(33)29-12-10-28(11-13-29)18-14-17(25)9-8-15(18)3/h8-9,14H,6-7,10-13H2,1-5H3,(H,26,33)