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

Systemtic Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodo-benzamide CAS Name: N-[[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-iodo-benzamide Formula: C23H18IN3O4S MolecularWeight: 559.37619

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I)OC

InChI

InChI=1S/C23H18IN3O4S/c1-29-19-8-6-14(11-20(19)30-2)22-26-17-12-16(7-9-18(17)31-22)25-23(32)27-21(28)13-4-3-5-15(24)10-13/h3-12H,1-2H3,(H2,25,27,28,32)