3-butoxy-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H24ClN5O2S/c1-3-4-12-33-19-7-5-6-17(13-19)24(32)28-25(34)27-21-15-23-22(14-20(21)26)29-31(30-23)18-10-8-16(2)9-11-18/h5-11,13-15H,3-4,12H2,1-2H3,(H2,27,28,32,34)