3-chloranyl-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-chloranyl-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H15Cl2N5O2S MolecularWeight: 472.3471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N5O2S/c1-30-19-9-2-12(10-16(19)23)20(29)25-21(31)24-14-5-8-17-18(11-14)27-28(26-17)15-6-3-13(22)4-7-15/h2-11H,1H3,(H2,24,25,29,31)