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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCCN(C1)CC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN(C1CCCN(C1)CC2=CC=C(C=C2)SC)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

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