N-[[4-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]phenyl]thiocarbamoyl]propionamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-3-17(25)23-19(28)21-14-7-9-15(10-8-14)22-20(29)24-18(26)12-27-16-6-4-5-13(2)11-16/h4-11H,3,12H2,1-2H3,(H2,21,23,25,28)(H2,22,24,26,29)