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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C23H20ClN5O2S MolecularWeight: 465.9552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN5O2S/c1-3-31-21-11-6-15(12-18(21)24)22(30)26-23(32)25-16-7-10-19-20(13-16)28-29(27-19)17-8-4-14(2)5-9-17/h4-13H,3H2,1-2H3,(H2,25,26,30,32)