N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxy-ethanamide Openeye Name: N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)-2-phenoxy-acetamide CAS Name: N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide IUPAC Name: N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide Traditional Name: N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]-2-phenoxy-acetamide Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S2/c1-14(2)10-11-25-20-22-17-9-8-15(12-18(17)26-20)21-19(23)13-24-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,23)