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

Systemtic Name: 4-ethoxy-N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-[[2-(3-iodophenyl)-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)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I

InChI

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