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

Systemtic Name: methyl 2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-morpholinosulfonylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O5S3 MolecularWeight: 517.64082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S3/c1-30-22(27)19-15-20(16-5-3-2-4-6-16)33-21(19)25-23(32)24-17-7-9-18(10-8-17)34(28,29)26-11-13-31-14-12-26/h2-10,15H,11-14H2,1H3,(H2,24,25,32)