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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CCCOC(C)C

InChI

InChI=1S/C27H37N3O3S/c1-17(2)33-10-6-9-30-25(32)22-7-4-5-8-23(22)28-26(30)34-18(3)24(31)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h4-5,7-8,17-21H,6,9-16H2,1-3H3,(H,29,31)/t18-,19?,20?,21?,27?/m1/s1