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

Systemtic Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-phenylpiperazin-1-yl)methanone CAS Name: (6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (6-ethyl-8-methylbenzo[b][1,4]benzothiazepin-3-yl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(4-phenylpiperazino)methanone Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)SC5=C1C=C(C=C5)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)SC5=C1C=C(C=C5)C

InChI

InChI=1S/C27H27N3OS/c1-3-23-22-17-19(2)9-11-25(22)32-26-12-10-20(18-24(26)28-23)27(31)30-15-13-29(14-16-30)21-7-5-4-6-8-21/h4-12,17-18H,3,13-16H2,1-2H3