6-bromanyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-bromo-2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 6-bromo-2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-bromo-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-bromo-2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H28BrN3O2S MolecularWeight: 466.43492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

InChI

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