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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[(4-morpholinosulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H24FN3O5S3 MolecularWeight: 549.657863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O5S3/c1-2-33-23(29)21-20(16-3-5-17(25)6-4-16)15-35-22(21)27-24(34)26-18-7-9-19(10-8-18)36(30,31)28-11-13-32-14-12-28/h3-10,15H,2,11-14H2,1H3,(H2,26,27,34)