N-(1,3-benzodioxol-5-ylmethyl)-4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-piperonyl-butyramide Formula: C20H18BrN3O4S MolecularWeight: 476.34362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C20H18BrN3O4S/c21-13-4-5-15-14(9-13)19(26)24(20(29)23-15)7-1-2-18(25)22-10-12-3-6-16-17(8-12)28-11-27-16/h3-6,8-9H,1-2,7,10-11H2,(H,22,25)(H,23,29)