N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C22H22N2OS2 MolecularWeight: 394.55288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

InChI

InChI=1S/C22H22N2OS2/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/h2-3,5-6,8-9,11-12H,4,7,10,13-14H2,1H3,(H,23,24,25)