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

Systemtic Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24Cl2N4O3S2 MolecularWeight: 515.47626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)C

InChI

InChI=1S/C21H24Cl2N4O3S2/c1-12-16(20(29)30-4)18(32-17(12)19(28)25(2)3)24-21(31)27-9-7-26(8-10-27)13-5-6-14(22)15(23)11-13/h5-6,11H,7-10H2,1-4H3,(H,24,31)