N-[[4-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[[2-(4-chloro-3-methyl-phenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]phenyl]thiocarbamoyl]propionamide Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3S2/c1-3-17(26)24-19(29)22-13-4-6-14(7-5-13)23-20(30)25-18(27)11-28-15-8-9-16(21)12(2)10-15/h4-10H,3,11H2,1-2H3,(H2,22,24,26,29)(H2,23,25,27,30)