(2R)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide

Systemtic Name: (2R)-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide Openeye Name: (2R)-2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide CAS Name: (2R)-2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-cycloheptylpropanamide IUPAC Name: (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-cycloheptylpropanamide Traditional Name: (2R)-2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-cycloheptyl-propionamide 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=C1SC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H](C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C21H28ClN3O2S/c1-3-12-25-20(27)17-11-10-15(22)13-18(17)24-21(25)28-14(2)19(26)23-16-8-6-4-5-7-9-16/h10-11,13-14,16H,3-9,12H2,1-2H3,(H,23,26)/t14-/m1/s1