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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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