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

Systemtic Name: 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-keto-quinazolin-2-yl]thio]-N-isopropyl-acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-13(2)22-19(25)12-27-21-23-17-10-6-5-9-16(17)20(26)24(21)18-11-7-8-14(3)15(18)4/h5-6,9-10,13-15,18H,7-8,11-12H2,1-4H3,(H,22,25)/t14-,15+,18+/m0/s1