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

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C23H18IN3O2S MolecularWeight: 527.37739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)C

InChI

InChI=1S/C23H18IN3O2S/c1-13-6-8-18(14(2)10-13)21(28)27-23(30)25-17-7-9-20-19(12-17)26-22(29-20)15-4-3-5-16(24)11-15/h3-12H,1-2H3,(H2,25,27,28,30)