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

Systemtic Name: methyl 2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4S/c1-32-24(31)19-12-6-8-14-21(19)26-22(29)16-33-25-27-20-13-7-5-11-18(20)23(30)28(25)15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,26,29)