3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide

Systemtic Name: 3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide Openeye Name: 3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(p-tolyl)propanamide CAS Name: 3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide IUPAC Name: 3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide Traditional Name: 3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,4-oxadiazol-5-yl]-N-(p-tolyl)propionamide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S2/c1-13-6-8-14(9-7-13)21-18(25)10-11-19-23-17(24-26-19)12-27-20-22-15-4-2-3-5-16(15)28-20/h2-9H,10-12H2,1H3,(H,21,25)