2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-piperidino-quinazolin-4-one Formula: C28H26BrN3O2S MolecularWeight: 548.49394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H26BrN3O2S/c29-22-11-9-21(10-12-22)26(33)19-35-28-30-25-14-13-23(31-15-5-2-6-16-31)17-24(25)27(34)32(28)18-20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2