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

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloranyl-4-methyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-chloro-4-methyl-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-chloro-4-methyl-benzamide Formula: C26H26ClN5OS MolecularWeight: 492.03554

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN5OS/c1-4-5-6-18-8-10-19(11-9-18)32-30-23-14-17(3)22(15-24(23)31-32)28-26(34)29-25(33)20-12-7-16(2)13-21(20)27/h7-15H,4-6H2,1-3H3,(H2,28,29,33,34)