N'-[4-[(5-chloranylcyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]ethanediamide

Systemtic Name: N'-[4-[(5-chloranylcyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]ethanediamide Openeye Name: N'-[4-[(5-chlorocyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]oxamide CAS Name: N'-[4-[[[(5-chloro-1-cyclohexa-1,5-dienyl)amino]-sulfanylidenemethyl]amino]phenyl]oxamide IUPAC Name: N'-[4-[(5-chlorocyclohexa-1,5-dien-1-yl)carbamothioylamino]phenyl]oxamide Traditional Name: N'-[4-[(5-chlorocyclohexa-1,5-dien-1-yl)thiocarbamoylamino]phenyl]oxamide Formula: C15H15ClN4O2S MolecularWeight: 350.8232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C(=O)N)Cl

Isomeric SMILES

C1CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C(=O)N)Cl

InChI

InChI=1S/C15H15ClN4O2S/c16-9-2-1-3-12(8-9)20-15(23)19-11-6-4-10(5-7-11)18-14(22)13(17)21/h3-8H,1-2H2,(H2,17,21)(H,18,22)(H2,19,20,23)