2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[(1R)-1-phenylethyl]quinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[(1R)-1-phenylethyl]quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[(1R)-1-phenylethyl]quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-[(1R)-1-phenylethyl]-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[(1R)-1-phenylethyl]quinazolin-4-one Traditional Name: 3-[(1R)-1-phenylethyl]-2-(piperonylthio)quinazolin-4-one Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N2O3S/c1-16(18-7-3-2-4-8-18)26-23(27)19-9-5-6-10-20(19)25-24(26)30-14-17-11-12-21-22(13-17)29-15-28-21/h2-13,16H,14-15H2,1H3/t16-/m1/s1