2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O2S/c1-27-19-9-7-18(8-10-19)23-12-14-24(15-13-23)22(26)17-25-11-4-16-28-21-6-3-2-5-20(21)25/h2-3,5-10H,4,11-17H2,1H3