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

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H15ClIN3O3S MolecularWeight: 563.79527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

InChI

InChI=1S/C22H15ClIN3O3S/c1-29-15-6-2-12(3-7-15)21-26-18-11-14(5-9-19(18)30-21)25-22(31)27-20(28)16-10-13(24)4-8-17(16)23/h2-11H,1H3,(H2,25,27,28,31)