2,4-bis(chloranyl)-N-[(hexanoylamino)carbamothioyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[(hexanoylamino)carbamothioyl]benzamide Openeye Name: 2,4-dichloro-N-[(hexanoylamino)carbamothioyl]benzamide CAS Name: 2,4-dichloro-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[(hexanoylamino)carbamothioyl]benzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-2,4-dichloro-benzamide Formula: C14H17Cl2N3O2S MolecularWeight: 362.27468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H17Cl2N3O2S/c1-2-3-4-5-12(20)18-19-14(22)17-13(21)10-7-6-9(15)8-11(10)16/h6-8H,2-5H2,1H3,(H,18,20)(H2,17,19,21,22)