N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C28H39N3O3S MolecularWeight: 497.69256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCCOC(C)C

InChI

InChI=1S/C28H39N3O3S/c1-18(2)34-10-6-9-31-26(33)23-7-4-5-8-24(23)30-27(31)35-17-25(32)29-19(3)28-14-20-11-21(15-28)13-22(12-20)16-28/h4-5,7-8,18-22H,6,9-17H2,1-3H3,(H,29,32)/t19-,20?,21?,22?,28?/m1/s1