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

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-p-anisylpiperazino)ethanone Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H31N3O2S/c1-19-11-12-27(22-5-3-4-6-23(22)30-19)24(28)18-26-15-13-25(14-16-26)17-20-7-9-21(29-2)10-8-20/h3-10,19H,11-18H2,1-2H3