N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-12(2)18(25)24-20(28)23-15-10-8-14(9-11-15)22-19(26)13(3)27-17-7-5-4-6-16(17)21/h4-13H,1-3H3,(H,22,26)(H2,23,24,25,28)