propan-2-yl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Openeye Name: isopropyl 4-[(4-morpholinosulfonylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-15(2)29-20(25)16-3-5-17(6-4-16)22-21(30)23-18-7-9-19(10-8-18)31(26,27)24-11-13-28-14-12-24/h3-10,15H,11-14H2,1-2H3,(H2,22,23,30)