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

Systemtic Name: N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C17H13ClIN3O2S MolecularWeight: 485.72649

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C17H13ClIN3O2S/c1-2-15(23)22-17(25)20-10-4-6-14-13(8-10)21-16(24-14)11-7-9(19)3-5-12(11)18/h3-8H,2H2,1H3,(H2,20,22,23,25)