11-[3-(azepan-1-yl)propyl]-8-bromanyl-6H-benzo[c][1]benzothiepine-11-carboxamide

Systemtic Name: 11-[3-(azepan-1-yl)propyl]-8-bromanyl-6H-benzo[c][1]benzothiepine-11-carboxamide Openeye Name: 11-[3-(azepan-1-yl)propyl]-8-bromo-6H-benzo[c][1]benzothiepine-11-carboxamide CAS Name: 11-[3-(1-azepanyl)propyl]-8-bromo-6H-benzo[c][1]benzothiepin-11-carboxamide IUPAC Name: 11-[3-(azepan-1-yl)propyl]-8-bromo-6H-benzo[c][1]benzothiepine-11-carboxamide Traditional Name: 11-[3-(azepan-1-yl)propyl]-8-bromo-6H-benzo[c][1]benzothiepin-11-carboxamide Formula: C24H29BrN2OS MolecularWeight: 473.46886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCC2(C3=C(CSC4=CC=CC=C42)C=C(C=C3)Br)C(=O)N

Isomeric SMILES

C1CCCN(CC1)CCCC2(C3=C(CSC4=CC=CC=C42)C=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C24H29BrN2OS/c25-19-10-11-20-18(16-19)17-29-22-9-4-3-8-21(22)24(20,23(26)28)12-7-15-27-13-5-1-2-6-14-27/h3-4,8-11,16H,1-2,5-7,12-15,17H2,(H2,26,28)