methyl 4-[2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-amino-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3-amino-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-amino-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C18H16N4O4S/c1-26-17(25)11-6-8-12(9-7-11)20-15(23)10-27-18-21-14-5-3-2-4-13(14)16(24)22(18)19/h2-9H,10,19H2,1H3,(H,20,23)