ethyl 4-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-methyl-4-oxo-quinazolin-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(2-methyl-4-oxo-3-quinazolinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-4-oxoquinazolin-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-2-methyl-quinazolin-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C(=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C19H18N4O3S/c1-3-26-18(25)13-8-10-14(11-9-13)21-19(27)22-23-12(2)20-16-7-5-4-6-15(16)17(23)24/h4-11H,3H2,1-2H3,(H2,21,22,27)