N-(4-bromanyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-(4-bromo-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4-bromo-1,3-benzothiazol-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-(4-bromo-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(benzylthio)-N-(4-bromo-1,3-benzothiazol-2-yl)butyramide Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC3=C(S2)C=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CSCCCC(=O)NC2=NC3=C(S2)C=CC=C3Br

InChI

InChI=1S/C18H17BrN2OS2/c19-14-8-4-9-15-17(14)21-18(24-15)20-16(22)10-5-11-23-12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,20,21,22)