6-bromanyl-2-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[[(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1S[C@H](C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21BrN2O2S/c1-4-11-24-20(26)17-12-16(22)9-10-18(17)23-21(24)27-14(3)19(25)15-7-5-13(2)6-8-15/h5-10,12,14H,4,11H2,1-3H3/t14-/m1/s1