N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]hexanamide

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]hexanamide Openeye Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]hexanamide Traditional Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]hexanamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23N5OS/c1-2-3-4-12-22(29)25-23(30)24-17-13-14-19-20(15-17)27-28(26-19)21-11-7-9-16-8-5-6-10-18(16)21/h5-11,13-15H,2-4,12H2,1H3,(H2,24,25,29,30)