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

Systemtic Name: methyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-morpholinosulfonylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(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=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

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