3-ethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H21N5O2S/c1-3-30-19-6-4-5-16(13-19)22(29)25-23(31)24-17-9-12-20-21(14-17)27-28(26-20)18-10-7-15(2)8-11-18/h4-14H,3H2,1-2H3,(H2,24,25,29,31)