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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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