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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-iodobenzamide Traditional Name: 2-iodo-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C23H18IN3O3S MolecularWeight: 543.37679

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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=CC=CC=C4I

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C23H18IN3O3S/c1-2-29-16-10-7-14(8-11-16)22-26-19-13-15(9-12-20(19)30-22)25-23(31)27-21(28)17-5-3-4-6-18(17)24/h3-13H,2H2,1H3,(H2,25,27,28,31)