6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-4-yl]hexanamide

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-4-yl]hexanamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(phenylmethyl)-4-piperidinyl]hexanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C26H31BrN4O2S MolecularWeight: 543.51894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C26H31BrN4O2S/c27-20-10-11-23-22(17-20)25(33)31(26(34)29-23)14-6-2-5-9-24(32)28-21-12-15-30(16-13-21)18-19-7-3-1-4-8-19/h1,3-4,7-8,10-11,17,21H,2,5-6,9,12-16,18H2,(H,28,32)(H,29,34)