N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-(p-tolylthio)butyramide Formula: C22H20N2OS2 MolecularWeight: 392.537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C22H20N2OS2/c1-15-8-11-17(12-9-15)26-14-4-7-20(25)23-22-24-21-18-6-3-2-5-16(18)10-13-19(21)27-22/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,24,25)