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

Systemtic Name: methyl 2-[[4-(3-chlorophenyl)piperazin-1-yl]carbothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-chlorophenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S2/c1-13-16(20(28)29-4)18(31-17(13)19(27)24(2)3)23-21(30)26-10-8-25(9-11-26)15-7-5-6-14(22)12-15/h5-7,12H,8-11H2,1-4H3,(H,23,30)