butyl 4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]benzoate CAS Name: 4-[[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]benzoate Traditional Name: 4-[(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]benzoic acid butyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC

InChI

InChI=1S/C22H23N3O4S/c1-3-5-12-29-21(28)14-6-9-16(10-7-14)23-19(26)15-8-11-17-18(13-15)24-22(30)25(4-2)20(17)27/h6-11,13H,3-5,12H2,1-2H3,(H,23,26)(H,24,30)