N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-(2,3-dimethylphenoxy)acetamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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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)COC4=CC=CC(=C4C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC(=C4C)C)C

InChI

InChI=1S/C28H31N5O2S/c1-5-6-9-21-11-13-22(14-12-21)33-31-24-15-19(3)23(16-25(24)32-33)29-28(36)30-27(34)17-35-26-10-7-8-18(2)20(26)4/h7-8,10-16H,5-6,9,17H2,1-4H3,(H2,29,30,34,36)