(2R)-N-tert-butyl-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-14(18(25)23-21(2,3)4)27-20-22-17-13-9-8-12-16(17)19(26)24(20)15-10-6-5-7-11-15/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,23,25)/t14-/m1/s1