(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone

Systemtic Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone Openeye Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone CAS Name: (6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)-(4-methyl-1-piperazinyl)methanone IUPAC Name: (6-ethyl-8-methylbenzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone Traditional Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazino)methanone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C22H25N3OS/c1-4-18-17-13-15(2)5-7-20(17)27-21-8-6-16(14-19(21)23-18)22(26)25-11-9-24(3)10-12-25/h5-8,13-14H,4,9-12H2,1-3H3