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

Systemtic Name: N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H16N2OS2 MolecularWeight: 376.49454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2OS2/c24-20(16-9-5-2-6-10-16)22-17-11-12-18-19(13-17)26-21(23-18)25-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,22,24)