N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]hexanamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-3-4-5-6-19(26)22-20(27)21-15-9-12-17-18(13-15)24-25(23-17)16-10-7-14(2)8-11-16/h7-13H,3-6H2,1-2H3,(H2,21,22,26,27)