N-(3-methylbutyl)-1-[(4-methylsulfanylphenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidin-4-amine

Systemtic Name: N-(3-methylbutyl)-1-[(4-methylsulfanylphenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-N-isopentyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine CAS Name: N-(3-methylbutyl)-1-[[4-(methylthio)phenyl]methyl]-N-(4-phenylmethoxyphenyl)-4-piperidinamine IUPAC Name: N-(3-methylbutyl)-1-[(4-methylsulfanylphenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidin-4-amine Traditional Name: (4-benzoxyphenyl)-isoamyl-[1-[4-(methylthio)benzyl]-4-piperidyl]amine Formula: C31H40N2OS MolecularWeight: 488.7271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H40N2OS/c1-25(2)17-22-33(28-11-13-30(14-12-28)34-24-27-7-5-4-6-8-27)29-18-20-32(21-19-29)23-26-9-15-31(35-3)16-10-26/h4-16,25,29H,17-24H2,1-3H3