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

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)NC2=S

InChI

InChI=1S/C28H21N3O4S/c1-34-21-14-10-20(11-15-21)31-27(33)24-16-7-18(17-25(24)30-28(31)36)26(32)29-19-8-12-23(13-9-19)35-22-5-3-2-4-6-22/h2-17H,1H3,(H,29,32)(H,30,36)