N-(1-adamantyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]propionamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6=CC(=CC=C6)OC

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6=CC(=CC=C6)OC

InChI

InChI=1S/C28H31N3O3S/c1-17(25(32)30-28-14-18-10-19(15-28)12-20(11-18)16-28)35-27-29-24-9-4-3-8-23(24)26(33)31(27)21-6-5-7-22(13-21)34-2/h3-9,13,17-20H,10-12,14-16H2,1-2H3,(H,30,32)