methyl 4-[2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C24H18ClN3O3S MolecularWeight: 463.93602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H18ClN3O3S/c1-31-24(30)16-7-10-18(11-8-16)26-21(29)14-32-23-19-13-17(25)9-12-20(19)27-22(28-23)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,26,29)