N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C24H21ClIN3O3S MolecularWeight: 593.86431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl)I

InChI

InChI=1S/C24H21ClIN3O3S/c1-14-7-8-16(13-20(14)26)23(31)29-24(33)28-18-11-9-17(10-12-18)27-22(30)15(2)32-21-6-4-3-5-19(21)25/h3-13,15H,1-2H3,(H,27,30)(H2,28,29,31,33)