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

Systemtic Name: methyl 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27ClN4O3S2 MolecularWeight: 495.05778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C22H27ClN4O3S2/c1-13-6-7-15(23)12-16(13)26-8-10-27(11-9-26)22(31)24-19-17(21(29)30-5)14(2)18(32-19)20(28)25(3)4/h6-7,12H,8-11H2,1-5H3,(H,24,31)