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

Systemtic Name: N-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[(1S)-1-(4-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=C(C=C1)Br)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C22H24BrN3O2S/c1-15(16-10-12-17(23)13-11-16)24-20(27)9-3-2-6-14-26-21(28)18-7-4-5-8-19(18)25-22(26)29/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3,(H,24,27)(H,25,29)/t15-/m0/s1