N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N5OS/c1-15-8-10-18(11-9-15)28-26-20-12-16(2)19(14-21(20)27-28)24-23(30)25-22(29)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H2,24,25,29,30)