N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C23H17ClIN3O4S MolecularWeight: 593.82125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)OC

InChI

InChI=1S/C23H17ClIN3O4S/c1-30-19-7-3-12(9-20(19)31-2)21(29)28-23(33)26-14-5-8-18-17(11-14)27-22(32-18)15-10-13(25)4-6-16(15)24/h3-11H,1-2H3,(H2,26,28,29,33)