1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-p-anisylpiperazino)propan-1-one Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H35N3O2S/c1-3-22-13-19-32-25-7-5-4-6-24(25)29(22)26(30)12-14-27-15-17-28(18-16-27)20-21-8-10-23(31-2)11-9-21/h4-11,22H,3,12-20H2,1-2H3