N-[3-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[3-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]phenyl]ethanamide Openeye Name: N-[3-[(1-acetamido-2,2,2-trichloro-ethyl)carbamothioylamino]phenyl]acetamide CAS Name: N-[3-[[[(1-acetamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[3-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[3-[(1-acetamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]phenyl]acetamide Formula: C13H15Cl3N4O2S MolecularWeight: 397.7078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C

InChI

InChI=1S/C13H15Cl3N4O2S/c1-7(21)17-9-4-3-5-10(6-9)19-12(23)20-11(13(14,15)16)18-8(2)22/h3-6,11H,1-2H3,(H,17,21)(H,18,22)(H2,19,20,23)