N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,3-bis(chloranyl)benzamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,3-bis(chloranyl)benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,3-dichloro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,3-dichlorobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,3-dichlorobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2,3-dichloro-benzamide Formula: C25H23Cl2N5OS MolecularWeight: 512.45402

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23Cl2N5OS/c1-3-4-6-16-9-11-17(12-10-16)32-30-21-13-15(2)20(14-22(21)31-32)28-25(34)29-24(33)18-7-5-8-19(26)23(18)27/h5,7-14H,3-4,6H2,1-2H3,(H2,28,29,33,34)