3-cyano-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-cyano-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H15N3OS3 MolecularWeight: 421.5583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)C#N

InChI

InChI=1S/C21H15N3OS3/c22-12-15-2-1-3-16(10-15)20(25)23-17-4-5-18-19(11-17)28-21(24-18)27-9-7-14-6-8-26-13-14/h1-6,8,10-11,13H,7,9H2,(H,23,25)