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

Systemtic Name: 2-chloranyl-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-chloro-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H13ClIN3O2S MolecularWeight: 533.76929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClIN3O2S/c22-16-7-2-1-6-15(16)19(27)26-21(29)24-14-8-9-18-17(11-14)25-20(28-18)12-4-3-5-13(23)10-12/h1-11H,(H2,24,26,27,29)