(6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)-piperidin-1-yl-methanone

Systemtic Name: (6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)-piperidin-1-yl-methanone Openeye Name: (6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)-(1-piperidyl)methanone CAS Name: (6,8-dimethyl-3-benzo[b][1,4]benzothiazepinyl)-(1-piperidinyl)methanone IUPAC Name: (6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)-piperidin-1-ylmethanone Traditional Name: (6,8-dimethylbenzo[b][1,4]benzothiazepin-3-yl)-piperidino-methanone Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2C

InChI

InChI=1S/C21H22N2OS/c1-14-6-8-19-17(12-14)15(2)22-18-13-16(7-9-20(18)25-19)21(24)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3