ethyl 4-[[2-oxidanylidene-3-(thiophen-2-ylmethyl)quinazolin-4-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[2-oxidanylidene-3-(thiophen-2-ylmethyl)quinazolin-4-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[2-oxo-3-(2-thienylmethyl)quinazolin-4-yl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[[2-oxo-3-(thiophen-2-ylmethyl)-4-quinazolinyl]amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]carbamoylamino]benzoate Traditional Name: 4-[[2-keto-3-(2-thenyl)quinazolin-4-yl]carbamoylamino]benzoic acid ethyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C3C=CC=CC3=NC(=O)N2CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C3C=CC=CC3=NC(=O)N2CC4=CC=CS4

InChI

InChI=1S/C23H20N4O4S/c1-2-31-21(28)15-9-11-16(12-10-15)24-22(29)26-20-18-7-3-4-8-19(18)25-23(30)27(20)14-17-6-5-13-32-17/h3-13H,2,14H2,1H3,(H2,24,26,29)