2-[(2,2-dimethyl-5-methylsulfanyl-3H-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine

Systemtic Name: 2-[(2,2-dimethyl-5-methylsulfanyl-3H-1-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine Openeye Name: 2-[(2,2-dimethyl-5-methylsulfanyl-3H-benzofuran-7-yl)methyl]-2-phenyl-piperidin-1-amine CAS Name: 2-[[2,2-dimethyl-5-(methylthio)-3H-benzofuran-7-yl]methyl]-2-phenyl-1-piperidinamine IUPAC Name: 2-[(2,2-dimethyl-5-methylsulfanyl-3H-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine Traditional Name: [2-[[2,2-dimethyl-5-(methylthio)coumaran-7-yl]methyl]-2-phenyl-piperidino]amine Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=CC(=C2O1)CC3(CCCCN3N)C4=CC=CC=C4)SC)C

Isomeric SMILES

CC1(CC2=CC(=CC(=C2O1)CC3(CCCCN3N)C4=CC=CC=C4)SC)C

InChI

InChI=1S/C23H30N2OS/c1-22(2)15-17-13-20(27-3)14-18(21(17)26-22)16-23(11-7-8-12-25(23)24)19-9-5-4-6-10-19/h4-6,9-10,13-14H,7-8,11-12,15-16,24H2,1-3H3