(2S)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: (2S)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: (2S)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: (2S)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C21H24N4O3S/c1-13-12-18(24-28-13)23-19(26)14(2)29-21-22-17-11-7-6-10-16(17)20(27)25(21)15-8-4-3-5-9-15/h6-7,10-12,14-15H,3-5,8-9H2,1-2H3,(H,23,24,26)/t14-/m0/s1