2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-N-p-anisyl-acetamide Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H24N4O3S/c1-35-23-14-8-20(9-15-23)17-31(21-12-13-21)26(33)18-36-28-30-25-5-3-2-4-24(25)27(34)32(28)22-10-6-19(16-29)7-11-22/h2-11,14-15,21H,12-13,17-18H2,1H3