N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]hexanamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]hexanamide Formula: C20H20BrN3OS2 MolecularWeight: 462.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20BrN3OS2/c1-2-3-4-9-18(25)24-20(26)23-15-11-10-13(21)12-14(15)19-22-16-7-5-6-8-17(16)27-19/h5-8,10-12H,2-4,9H2,1H3,(H2,23,24,25,26)