2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-benzyl-quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-benzylquinazolin-4-one Traditional Name: 3-benzyl-2-(piperonylthio)quinazolin-4-one Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C23H18N2O3S/c26-22-18-8-4-5-9-19(18)24-23(25(22)13-16-6-2-1-3-7-16)29-14-17-10-11-20-21(12-17)28-15-27-20/h1-12H,13-15H2