ethyl 4-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-3-23(24(31)28-19-16-14-18(15-17-19)26(33)34-4-2)35-27-29-22-13-9-8-12-21(22)25(32)30(27)20-10-6-5-7-11-20/h5-17,23H,3-4H2,1-2H3,(H,28,31)