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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-18-11-12-27(22-5-3-4-6-23(22)30-18)24(29)17-25-13-15-26(16-14-25)21-9-7-20(8-10-21)19(2)28/h3-10,18H,11-17H2,1-2H3