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

Systemtic Name: ethyl 5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O5S3 MolecularWeight: 545.69398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H27N3O5S3/c1-3-33-24(29)22-21(18-7-5-4-6-8-18)17(2)35-23(22)27-25(34)26-19-9-11-20(12-10-19)36(30,31)28-13-15-32-16-14-28/h4-12H,3,13-16H2,1-2H3,(H2,26,27,34)