propan-2-yl 4-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H22N4O4S/c1-17(2)35-26(34)19-9-11-20(12-10-19)29-24(32)16-36-27-30-23-6-4-3-5-22(23)25(33)31(27)21-13-7-18(15-28)8-14-21/h3-14,17H,16H2,1-2H3,(H,29,32)