ethyl 4-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-morpholino-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-morpholinyl)-2,1,3-benzoxadiazol-7-yl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]benzoate Traditional Name: 4-[(7-morpholinobenzofurazan-4-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4

InChI

InChI=1S/C20H21N5O4S/c1-2-28-19(26)13-3-5-14(6-4-13)21-20(30)22-15-7-8-16(18-17(15)23-29-24-18)25-9-11-27-12-10-25/h3-8H,2,9-12H2,1H3,(H2,21,22,30)