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

Systemtic Name: 2-chloranyl-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-5-iodo-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C23H17ClIN3O3S MolecularWeight: 577.82185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

CCOC1=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/C23H17ClIN3O3S/c1-2-30-16-7-3-13(4-8-16)22-27-19-12-15(6-10-20(19)31-22)26-23(32)28-21(29)17-11-14(25)5-9-18(17)24/h3-12H,2H2,1H3,(H2,26,28,29,32)