ethyl 4-(4-chlorophenyl)-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[(4-morpholinosulfonylbenzoyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(4-morpholinosulfonylbenzoyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H24ClN3O6S3 MolecularWeight: 594.12256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O6S3/c1-2-35-24(31)21-20(16-3-7-18(26)8-4-16)15-37-23(21)28-25(36)27-22(30)17-5-9-19(10-6-17)38(32,33)29-11-13-34-14-12-29/h3-10,15H,2,11-14H2,1H3,(H2,27,28,30,36)