N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C25H31N3O2S/c1-3-8-28-23(30)20-6-4-5-7-21(20)27-24(28)31-15-22(29)26-16(2)25-12-17-9-18(13-25)11-19(10-17)14-25/h3-7,16-19H,1,8-15H2,2H3,(H,26,29)/t16-,17?,18?,19?,25?/m0/s1