4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-chlorobenzyl)butyramide Formula: C19H17BrClN3O2S MolecularWeight: 466.77918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

InChI

InChI=1S/C19H17BrClN3O2S/c20-13-7-8-16-14(10-13)18(26)24(19(27)23-16)9-3-6-17(25)22-11-12-4-1-2-5-15(12)21/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,22,25)(H,23,27)