2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C23H17N3O2S2/c24-13-14-29-20-7-3-1-5-18(20)25-22(27)15-28-17-11-9-16(10-12-17)23-26-19-6-2-4-8-21(19)30-23/h1-12H,14-15H2,(H,25,27)