methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-morpholinosulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O6S3 MolecularWeight: 526.64934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C)C

InChI

InChI=1S/C21H26N4O6S3/c1-13-16(20(27)30-4)18(33-17(13)19(26)24(2)3)23-21(32)22-14-5-7-15(8-6-14)34(28,29)25-9-11-31-12-10-25/h5-8H,9-12H2,1-4H3,(H2,22,23,32)