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

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4C

InChI

InChI=1S/C23H29N3O2S/c1-14(23-10-15-7-16(11-23)9-17(8-15)12-23)24-20(27)13-29-22-25-19-6-4-3-5-18(19)21(28)26(22)2/h3-6,14-17H,7-13H2,1-2H3,(H,24,27)/t14-,15?,16?,17?,23?/m0/s1