2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-[2-(2-thienyl)ethynyl]phenyl]acetamide Formula: C22H16N2OS3 MolecularWeight: 420.57024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H16N2OS3/c25-21(14-26-15-22-24-19-8-1-2-9-20(19)28-22)23-17-6-3-5-16(13-17)10-11-18-7-4-12-27-18/h1-9,12-13H,14-15H2,(H,23,25)