N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Formula: C16H13BrN2OS2 MolecularWeight: 393.32122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C16H13BrN2OS2/c17-12-6-7-13-14(8-12)22-16(18-13)19-15(20)10-21-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19,20)