2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CCCC(C3C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N[C@H]3CCC[C@H]([C@@H]3C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-4-10-25-20(27)16-9-8-15(22)11-18(16)24-21(25)28-12-19(26)23-17-7-5-6-13(2)14(17)3/h8-9,11,13-14,17H,4-7,10,12H2,1-3H3,(H,23,26)/t13-,14+,17+/m1/s1