N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C25H24ClN5OS MolecularWeight: 478.00896

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24ClN5OS/c1-2-3-7-17-10-12-19(13-11-17)31-29-22-15-20(26)21(16-23(22)30-31)27-25(33)28-24(32)14-18-8-5-4-6-9-18/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H2,27,28,32,33)