2-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-oxidanyl-ethanamide

Systemtic Name: 2-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-oxidanyl-ethanamide Openeye Name: 2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-hydroxy-acetamide CAS Name: 2-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl]-2-hydroxyacetamide IUPAC Name: 2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-hydroxyacetamide Traditional Name: 2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl]-2-hydroxy-acetamide Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O2S/c16-12-8-10(6-7-11(12)13(20)14(17)21)19-15(22)18-9-4-2-1-3-5-9/h2,4-8,13,20H,1,3H2,(H2,17,21)(H2,18,19,22)