3-methyl-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-methyl-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-3-methyl-benzamide CAS Name: 3-methyl-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-3-methylbenzamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C22H18N2OS2 MolecularWeight: 390.52112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2OS2/c1-15-6-5-9-17(12-15)21(25)23-18-10-11-19-20(13-18)27-22(24-19)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,25)