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

Systemtic Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-dimethylaminophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2S/c1-28(2)17-9-11-18(12-10-17)29-26-20-13-8-16(14-21(20)27-29)24-23(32)25-22(30)15-31-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H2,24,25,30,32)