1-(1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)-2-methyl-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-(1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)-2-methyl-2-phenylsulfanyl-propan-1-one Openeye Name: 1-(1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)-2-methyl-2-phenylsulfanyl-propan-1-one CAS Name: 1-(1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)-2-methyl-2-(phenylthio)-1-propanone IUPAC Name: 1-(1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)-2-methyl-2-phenylsulfanylpropan-1-one Traditional Name: 1-(1,3,3a,4,5,9b-hexahydrobenz[e]isoindol-2-yl)-2-methyl-2-(phenylthio)propan-1-one Formula: C22H25NOS MolecularWeight: 351.505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC2CCC3=CC=CC=C3C2C1)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)N1CC2CCC3=CC=CC=C3C2C1)SC4=CC=CC=C4

InChI

InChI=1S/C22H25NOS/c1-22(2,25-18-9-4-3-5-10-18)21(24)23-14-17-13-12-16-8-6-7-11-19(16)20(17)15-23/h3-11,17,20H,12-15H2,1-2H3