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

Systemtic Name: 3-phenyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]propanamide Openeye Name: 3-phenyl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]propanamide CAS Name: N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: 3-phenyl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]propanamide Traditional Name: 3-phenyl-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H22N4O3S/c1-2-17(25)21-16-11-9-15(10-12-16)19(27)23-24-20(28)22-18(26)13-8-14-6-4-3-5-7-14/h3-7,9-12H,2,8,13H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,28)