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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-chloranylphenoxy)ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenoxy)acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-(4-chlorophenoxy)acetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenoxy)acetamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-(4-chlorophenoxy)acetamide Formula: C26H26ClN5O2S MolecularWeight: 508.03494

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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=C(C=C4)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)COC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H26ClN5O2S/c1-3-4-5-18-6-10-20(11-7-18)32-30-23-14-17(2)22(15-24(23)31-32)28-26(35)29-25(33)16-34-21-12-8-19(27)9-13-21/h6-15H,3-5,16H2,1-2H3,(H2,28,29,33,35)