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

Systemtic Name: ethyl 4-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-morpholinosulfonylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-morpholinosulfonylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c1-2-28-19(24)15-6-8-16(9-7-15)21-20(29)22-17-4-3-5-18(14-17)30(25,26)23-10-12-27-13-11-23/h3-9,14H,2,10-13H2,1H3,(H2,21,22,29)