1-benzothiophen-2-yl-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]methanone CAS Name: 1-benzothiophen-2-yl-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[(3S)-3-[homoveratryl(methyl)amino]piperidino]methanone Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N2O3S/c1-26(14-12-18-10-11-21(29-2)22(15-18)30-3)20-8-6-13-27(17-20)25(28)24-16-19-7-4-5-9-23(19)31-24/h4-5,7,9-11,15-16,20H,6,8,12-14,17H2,1-3H3/t20-/m0/s1