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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-bis(chloranyl)benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dichloro-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4-dichlorobenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3,4-dichlorobenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3,4-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=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23Cl2N5OS/c1-3-4-5-16-6-9-18(10-7-16)32-30-22-12-15(2)21(14-23(22)31-32)28-25(34)29-24(33)17-8-11-19(26)20(27)13-17/h6-14H,3-5H2,1-2H3,(H2,28,29,33,34)