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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC(C3C)C

Isomeric SMILES

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1[C@H]3CCC[C@H]([C@@H]3C)C

InChI

InChI=1S/C21H29N3O2S/c1-4-12-22-19(25)13-27-21-23-17-10-6-5-9-16(17)20(26)24(21)18-11-7-8-14(2)15(18)3/h5-6,9-10,14-15,18H,4,7-8,11-13H2,1-3H3,(H,22,25)/t14-,15+,18+/m1/s1