N-[1-(3-bromophenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[1-(3-bromophenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[1-(3-bromophenyl)ethyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C22H24BrN3O2S/c1-15(16-8-7-9-17(23)14-16)24-20(27)12-3-2-6-13-26-21(28)18-10-4-5-11-19(18)25-22(26)29/h4-5,7-11,14-15H,2-3,6,12-13H2,1H3,(H,24,27)(H,25,29)