N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S/c1-29-18-10-8-17(9-11-18)27-25-19-12-7-16(14-20(19)26-27)23-22(30)24-21(28)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,23,24,28,30)