N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C32H31N5OS MolecularWeight: 533.68644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C32H31N5OS/c1-3-4-11-23-16-18-26(19-17-23)37-35-28-20-22(2)27(21-29(28)36-37)33-32(39)34-31(38)30(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-21,30H,3-4,11H2,1-2H3,(H2,33,34,38,39)