1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H26N2O3S/c1-27-19-11-9-16(14-20(19)28-2)10-12-22(26)25-13-5-6-17(15-25)23-24-18-7-3-4-8-21(18)29-23/h3-4,7-9,11,14,17H,5-6,10,12-13,15H2,1-2H3/t17-/m1/s1