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

Systemtic Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[cyclopropyl(p-tolyl)methyl]-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[cyclopropyl(p-tolyl)methyl]-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H27N3O3S/c1-18-10-12-19(13-11-18)26(20-14-15-20)30-25(32)17-35-28-29-24-9-4-3-8-23(24)27(33)31(28)21-6-5-7-22(16-21)34-2/h3-13,16,20,26H,14-15,17H2,1-2H3,(H,30,32)