N-tert-butyl-2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C)C

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H31N3O2S/c1-14-9-8-12-18(15(14)2)25-20(27)16-10-6-7-11-17(16)23-21(25)28-13-19(26)24-22(3,4)5/h6-7,10-11,14-15,18H,8-9,12-13H2,1-5H3,(H,24,26)/t14-,15+,18+/m0/s1