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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C26H26ClN5OS MolecularWeight: 492.03554

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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)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H26ClN5OS/c1-3-4-5-18-8-12-21(13-9-18)32-30-23-14-17(2)22(16-24(23)31-32)28-26(34)29-25(33)15-19-6-10-20(27)11-7-19/h6-14,16H,3-5,15H2,1-2H3,(H2,28,29,33,34)