6-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Openeye Name: 6-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline CAS Name: 6-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Traditional Name: 6-(1,3-benzodioxol-5-yl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC4=C(C=C3)OCO4)CSCCC5=CC=CC=C5)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC4=C(C=C3)OCO4)CSCCC5=CC=CC=C5)C

InChI

InChI=1S/C27H27NO2S/c1-27(2)16-22(17-31-13-12-19-6-4-3-5-7-19)23-14-20(8-10-24(23)28-27)21-9-11-25-26(15-21)30-18-29-25/h3-11,14-16,28H,12-13,17-18H2,1-2H3