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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(3-morpholinosulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(3-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O5S3 MolecularWeight: 483.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H25N3O5S3/c1-4-16-13(2)30-18(17(16)19(24)27-3)22-20(29)21-14-6-5-7-15(12-14)31(25,26)23-8-10-28-11-9-23/h5-7,12H,4,8-11H2,1-3H3,(H2,21,22,29)