(2S)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide

Systemtic Name: (2S)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-isobutyl-propanamide CAS Name: (2S)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-isobutyl-propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c1-14(2)13-22-19(25)15(3)27-21-23-18-12-8-7-11-17(18)20(26)24(21)16-9-5-4-6-10-16/h7-8,11-12,14-16H,4-6,9-10,13H2,1-3H3,(H,22,25)/t15-/m0/s1