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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

InChI

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