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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28N4O6S3 MolecularWeight: 540.67592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6S3/c1-14-17(21(28)32-5)19(34-18(14)20(27)24(2)3)23-22(33)25-10-12-26(13-11-25)35(29,30)16-8-6-15(31-4)7-9-16/h6-9H,10-13H2,1-5H3,(H,23,33)