ethyl 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[(2-methyl-5-morpholinosulfonyl-benzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-methyl-5-morpholinosulfonyl-benzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O6S3 MolecularWeight: 525.66128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H27N3O6S3/c1-5-31-21(27)18-14(3)15(4)33-20(18)24-22(32)23-19(26)17-12-16(7-6-13(17)2)34(28,29)25-8-10-30-11-9-25/h6-7,12H,5,8-11H2,1-4H3,(H2,23,24,26,32)