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

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O2S/c1-2-3-7-18-10-13-20(14-11-18)30-28-22-15-12-19(16-23(22)29-30)26-25(33)27-24(31)17-32-21-8-5-4-6-9-21/h4-6,8-16H,2-3,7,17H2,1H3,(H2,26,27,31,33)