2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(3,4-dimethoxyphenyl)sulfanyl-propan-1-one CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[(3,4-dimethoxyphenyl)thio]propan-1-one Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29NO3S/c1-17(28-20-9-10-21(26-2)22(16-20)27-3)23(25)24-13-11-19(12-14-24)15-18-7-5-4-6-8-18/h4-10,16-17,19H,11-15H2,1-3H3