methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(4-morpholinosulfonylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21N3O5S2/c1-26-18(23)14-3-2-4-16(13-14)21-19(28)20-15-5-7-17(8-6-15)29(24,25)22-9-11-27-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,28)