3-(2-chlorophenyl)-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]propionamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H21ClN4O3S/c1-2-17(26)22-15-10-7-14(8-11-15)19(28)24-25-20(29)23-18(27)12-9-13-5-3-4-6-16(13)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,26)(H,24,28)(H2,23,25,27,29)