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

Systemtic Name: propyl 4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-11-28-20(27)13-5-8-15(9-6-13)22-18(25)14-7-10-16-17(12-14)23-21(29)24(4-2)19(16)26/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H,23,29)