azepan-1-yl-(6-methylbenzo[b][1,4]benzothiazepin-3-yl)methanone

Systemtic Name: azepan-1-yl-(6-methylbenzo[b][1,4]benzothiazepin-3-yl)methanone Openeye Name: azepan-1-yl-(6-methylbenzo[b][1,4]benzothiazepin-3-yl)methanone CAS Name: 1-azepanyl-(6-methyl-3-benzo[b][1,4]benzothiazepinyl)methanone IUPAC Name: azepan-1-yl-(6-methylbenzo[b][1,4]benzothiazepin-3-yl)methanone Traditional Name: azepan-1-yl-(6-methylbenzo[b][1,4]benzothiazepin-3-yl)methanone Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)N3CCCCCC3)SC4=CC=CC=C14

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)N3CCCCCC3)SC4=CC=CC=C14

InChI

InChI=1S/C21H22N2OS/c1-15-17-8-4-5-9-19(17)25-20-11-10-16(14-18(20)22-15)21(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3