1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(2-pyrazinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrazin-2-ylpiperazino)ethanone Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5OS/c1-16-6-9-25(17-4-2-3-5-18(17)27-16)20(26)15-23-10-12-24(13-11-23)19-14-21-7-8-22-19/h2-5,7-8,14,16H,6,9-13,15H2,1H3