N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide

Systemtic Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]hexanamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H29N5OS/c1-5-6-7-8-22(29)25-23(30)24-19-14-21-20(13-16(19)4)26-28(27-21)18-11-9-17(10-12-18)15(2)3/h9-15H,5-8H2,1-4H3,(H2,24,25,29,30)