N-[(1S)-2,2,2-tris(chloranyl)-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]propanamide

Systemtic Name: N-[(1S)-2,2,2-tris(chloranyl)-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]propanamide Openeye Name: N-[(1S)-2,2,2-trichloro-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]propanamide CAS Name: N-[(1S)-2,2,2-trichloro-1-[[(3-hydroxyanilino)-sulfanylidenemethyl]amino]ethyl]propanamide IUPAC Name: N-[(1S)-2,2,2-trichloro-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]propanamide Traditional Name: N-[(1S)-2,2,2-trichloro-1-[(3-hydroxyphenyl)thiocarbamoylamino]ethyl]propionamide Formula: C12H14Cl3N3O2S MolecularWeight: 370.68246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)O

InChI

InChI=1S/C12H14Cl3N3O2S/c1-2-9(20)17-10(12(13,14)15)18-11(21)16-7-4-3-5-8(19)6-7/h3-6,10,19H,2H2,1H3,(H,17,20)(H2,16,18,21)/t10-/m0/s1