N-[[4-[2-(2,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[2-(2,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[[[[2-(2,4-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[[2-(2,4-dimethylphenoxy)acetyl]thiocarbamoylamino]phenyl]thiocarbamoyl]propionamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H24N4O3S2/c1-4-18(26)24-20(29)22-15-6-8-16(9-7-15)23-21(30)25-19(27)12-28-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H2,22,24,26,29)(H2,23,25,27,30)