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

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)hexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)hexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(4-methylcyclohexyl)hexanamide Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

CC1CCC(CC1)NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C21H28BrN3O2S/c1-14-6-9-16(10-7-14)23-19(26)5-3-2-4-12-25-20(27)17-13-15(22)8-11-18(17)24-21(25)28/h8,11,13-14,16H,2-7,9-10,12H2,1H3,(H,23,26)(H,24,28)