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

Systemtic Name: 5-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-chloro-benzamide Formula: C25H23BrClN5OS MolecularWeight: 556.90502

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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)Br)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrClN5OS/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)19-13-17(26)8-11-20(19)27/h6-14H,3-5H2,1-2H3,(H2,28,29,33,34)