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

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C21H20N2OS2 MolecularWeight: 380.5263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2OS2/c1-14-6-9-16(10-7-14)25-13-12-19(24)22-21-23-20-17-5-3-2-4-15(17)8-11-18(20)26-21/h2-7,9-10H,8,11-13H2,1H3,(H,22,23,24)