N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]hexanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]carbamothioyl]hexanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]hexanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]hexanamide Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS2/c1-2-3-4-9-18(25)24-20(26)23-16-12-13(10-11-14(16)21)19-22-15-7-5-6-8-17(15)27-19/h5-8,10-12H,2-4,9H2,1H3,(H2,23,24,25,26)