1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(4-benzyl-1-piperidyl)-1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one CAS Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperidin-1-yl)-1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Traditional Name: 3-(4-benzylpiperidino)-1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Formula: C24H30N2OS MolecularWeight: 394.5728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)N3CCSC4=CC=CC=C4C3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)N3CCSC4=CC=CC=C4C3

InChI

InChI=1S/C24H30N2OS/c27-24(26-16-17-28-23-9-5-4-8-22(23)19-26)12-15-25-13-10-21(11-14-25)18-20-6-2-1-3-7-20/h1-9,21H,10-19H2