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

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazinyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[4-(3-methoxyphenyl)piperazino]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H29N3O2S/c1-18-10-11-26(21-8-3-4-9-22(21)29-18)23(27)17-24-12-14-25(15-13-24)19-6-5-7-20(16-19)28-2/h3-9,16,18H,10-15,17H2,1-2H3/t18-/m0/s1