4-oxidanylidene-N-(4-phenoxyphenyl)-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(4-phenoxyphenyl)-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-(4-phenoxyphenyl)-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC2=S

InChI

InChI=1S/C28H21N3O3S/c32-26(29-21-12-14-23(15-13-21)34-22-9-5-2-6-10-22)20-11-16-24-25(17-20)30-28(35)31(27(24)33)18-19-7-3-1-4-8-19/h1-17H,18H2,(H,29,32)(H,30,35)