1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S/c24-20(23-13-5-1-2-6-14-23)15-25-17-11-9-16(10-12-17)21-22-18-7-3-4-8-19(18)26-21/h3-4,7-12H,1-2,5-6,13-15H2