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

Systemtic Name: 3-bromanyl-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-3-bromo-benzamide CAS Name: 3-bromo-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-3-bromobenzamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-3-bromo-benzamide Formula: C21H15BrN2OS2 MolecularWeight: 455.3906

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2OS2/c22-16-8-4-7-15(11-16)20(25)23-17-9-10-18-19(12-17)27-21(24-18)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,25)