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

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)butyramide Formula: C19H24BrN3O2S MolecularWeight: 438.38176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

CC1CCC(CC1)NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C19H24BrN3O2S/c1-12-4-7-14(8-5-12)21-17(24)3-2-10-23-18(25)15-11-13(20)6-9-16(15)22-19(23)26/h6,9,11-12,14H,2-5,7-8,10H2,1H3,(H,21,24)(H,22,26)