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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(benzenesulfonyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzenesulfonyl)piperazine-1-carbothioyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-besylpiperazine-1-carbothioyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O5S3 MolecularWeight: 510.64994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S3/c1-14-16(20(27)30-4)18(32-17(14)19(26)23(2)3)22-21(31)24-10-12-25(13-11-24)33(28,29)15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3,(H,22,31)