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

Systemtic Name: 4-tert-butyl-N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C28H30ClN5OS MolecularWeight: 520.0887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN5OS/c1-5-6-7-18-8-14-21(15-9-18)34-32-24-16-22(29)23(17-25(24)33-34)30-27(36)31-26(35)19-10-12-20(13-11-19)28(2,3)4/h8-17H,5-7H2,1-4H3,(H2,30,31,35,36)