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

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: 2-phenoxy-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O3S/c1-2-30-19-11-9-17(10-12-19)28-26-20-13-8-16(14-21(20)27-28)24-23(32)25-22(29)15-31-18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H2,24,25,29,32)