N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-2-16-8-11-18(12-9-16)28-26-20-13-10-17(14-21(20)27-28)24-23(31)25-22(29)15-30-19-6-4-3-5-7-19/h3-14H,2,15H2,1H3,(H2,24,25,29,31)