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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]-2-iodo-benzamide Formula: C21H15ClIN5O2S MolecularWeight: 563.79857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4I)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4I)Cl

InChI

InChI=1S/C21H15ClIN5O2S/c1-30-19-9-7-13(11-15(19)22)28-26-17-8-6-12(10-18(17)27-28)24-21(31)25-20(29)14-4-2-3-5-16(14)23/h2-11H,1H3,(H2,24,25,29,31)