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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C26H26ClN5O2S MolecularWeight: 508.03494

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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=C2C)C4=CC=C(C=C4)C(C)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)C(C)C)Cl

InChI

InChI=1S/C26H26ClN5O2S/c1-5-34-24-11-8-18(13-20(24)27)25(33)29-26(35)28-21-14-23-22(12-16(21)4)30-32(31-23)19-9-6-17(7-10-19)15(2)3/h6-15H,5H2,1-4H3,(H2,28,29,33,35)