N-(1-adamantylcarbamoyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H30N4O4S MolecularWeight: 470.5844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCCO

InChI

InChI=1S/C24H30N4O4S/c29-7-3-6-28-21(31)18-4-1-2-5-19(18)25-23(28)33-14-20(30)26-22(32)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-2,4-5,15-17,29H,3,6-14H2,(H2,26,27,30,32)