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

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(p-tolylmethyl)butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(4-methylbenzyl)butyramide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C20H20BrN3O2S/c1-13-4-6-14(7-5-13)12-22-18(25)3-2-10-24-19(26)16-11-15(21)8-9-17(16)23-20(24)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27)