8-bromanyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine

Systemtic Name: 8-bromanyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine Openeye Name: 8-bromo-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine CAS Name: 8-bromo-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzothiazepine IUPAC Name: 8-bromo-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine Traditional Name: 8-bromo-6-(4-methylpiperazino)benzo[b][1,4]benzothiazepine Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Br

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Br

InChI

InChI=1S/C18H18BrN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3