1-(azepan-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethanone Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N2O2S2/c1-2-21-13-7-8-14-15(11-13)23-17(18-14)22-12-16(20)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10,12H2,1H3