5-chloranyl-2-methoxy-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-chloro-N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-chloro-2-methoxy-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-chloro-2-methoxy-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)OC)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)OC)C4=CC=C(C=C4)C(C)C

InChI

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