(2S)-N-(1-adamantyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CCCO

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CCCO

InChI

InChI=1S/C24H31N3O3S/c1-15(21(29)26-24-12-16-9-17(13-24)11-18(10-16)14-24)31-23-25-20-6-3-2-5-19(20)22(30)27(23)7-4-8-28/h2-3,5-6,15-18,28H,4,7-14H2,1H3,(H,26,29)/t15-,16?,17?,18?,24?/m0/s1