ethyl 4-[2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(benzylamino)quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-2-33-25(32)19-12-14-20(15-13-19)28-23(31)17-34-26-29-22-11-7-6-10-21(22)24(30-26)27-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,28,31)(H,27,29,30)