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

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-butyl-hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-butyl-hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butylhexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-butylhexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-butyl-hexanamide Formula: C18H24BrN3O2S MolecularWeight: 426.37106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

Isomeric SMILES

CCCCNC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

InChI

InChI=1S/C18H24BrN3O2S/c1-2-3-10-20-16(23)7-5-4-6-11-22-17(24)14-12-13(19)8-9-15(14)21-18(22)25/h8-9,12H,2-7,10-11H2,1H3,(H,20,23)(H,21,25)