4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-butyl-butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-butyl-butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-butyl-butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butylbutanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butylbutanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-butyl-butyramide Formula: C16H20BrN3O2S MolecularWeight: 398.3179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

Isomeric SMILES

CCCCNC(=O)CCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

InChI

InChI=1S/C16H20BrN3O2S/c1-2-3-8-18-14(21)5-4-9-20-15(22)12-10-11(17)6-7-13(12)19-16(20)23/h6-7,10H,2-5,8-9H2,1H3,(H,18,21)(H,19,23)