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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]hexanamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS2/c1-2-3-4-9-18(24)23-20(25)21-15-12-10-14(11-13-15)19-22-16-7-5-6-8-17(16)26-19/h5-8,10-13H,2-4,9H2,1H3,(H2,21,23,24,25)