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

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-benzyl-4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O2S/c20-14-8-9-16-15(11-14)18(25)23(19(26)22-16)10-4-7-17(24)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,24)(H,22,26)