(2S)-2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-propyl-propanamide

Systemtic Name: (2S)-2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-propyl-propionamide Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C20H26ClN3O2S/c1-3-11-22-18(25)13(2)27-20-23-17-12-14(21)9-10-16(17)19(26)24(20)15-7-5-4-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,22,25)/t13-/m0/s1