2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[(1S)-1-methylheptyl]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

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