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

Systemtic Name: (8-bromanyl-6-ethyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone Openeye Name: (8-bromo-6-ethyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone CAS Name: (8-bromo-6-ethyl-3-benzo[b][1,4]benzothiazepinyl)-(4-methyl-1-piperazinyl)methanone IUPAC Name: (8-bromo-6-ethylbenzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone Traditional Name: (8-bromo-6-ethyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-methylpiperazino)methanone Formula: C21H22BrN3OS MolecularWeight: 444.38788

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3OS/c1-3-17-16-13-15(22)5-7-19(16)27-20-6-4-14(12-18(20)23-17)21(26)25-10-8-24(2)9-11-25/h4-7,12-13H,3,8-11H2,1-2H3