(2R)-N-(cyclopropylcarbamoyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclopropylcarbamoyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(cyclopropylcarbamoyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(cyclopropylamino)-oxomethyl]-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(cyclopropylcarbamoyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(cyclopropylcarbamoyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC3CC3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC(=O)NC3CC3

InChI

InChI=1S/C21H28N4O3S/c1-3-4-5-8-13-25-19(27)16-9-6-7-10-17(16)23-21(25)29-14(2)18(26)24-20(28)22-15-11-12-15/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H2,22,24,26,28)/t14-/m1/s1