2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-benzyl-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-3-4-14-25-21(27)18-12-8-9-13-19(18)24-22(25)28-16(2)20(26)23-15-17-10-6-5-7-11-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,26)