2,3-dihydroindol-1-yl-(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)methanone

Systemtic Name: 2,3-dihydroindol-1-yl-(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)methanone Openeye Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-indolin-1-yl-methanone CAS Name: 2,3-dihydroindol-1-yl-(6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)methanone IUPAC Name: 2,3-dihydroindol-1-yl-(6-ethyl-8-methylbenzo[b][1,4]benzothiazepin-3-yl)methanone Traditional Name: (6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-indolin-1-yl-methanone Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C43)SC5=C1C=C(C=C5)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C43)SC5=C1C=C(C=C5)C

InChI

InChI=1S/C25H22N2OS/c1-3-20-19-14-16(2)8-10-23(19)29-24-11-9-18(15-21(24)26-20)25(28)27-13-12-17-6-4-5-7-22(17)27/h4-11,14-15H,3,12-13H2,1-2H3