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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CC=CO6

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CC=CO6

InChI

InChI=1S/C27H31N3O3S/c1-17(27-12-18-9-19(13-27)11-20(10-18)14-27)28-24(31)16-34-26-29-23-7-3-2-6-22(23)25(32)30(26)15-21-5-4-8-33-21/h2-8,17-20H,9-16H2,1H3,(H,28,31)/t17-,18?,19?,20?,27?/m1/s1