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

Systemtic Name: (2S)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-propyl-propionamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-3-13-21-18(24)14(2)26-20-22-17-12-8-7-11-16(17)19(25)23(20)15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,21,24)/t14-/m0/s1