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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]hexanamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]hexanamide Formula: C24H31N5OS MolecularWeight: 437.60084

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5OS/c1-4-6-8-10-23(30)26-24(31)25-20-16-22-21(15-17(20)3)27-29(28-22)19-13-11-18(12-14-19)9-7-5-2/h11-16H,4-10H2,1-3H3,(H2,25,26,30,31)