4-chloranyl-N-[(hexanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[(hexanoylamino)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(hexanoylamino)carbamothioyl]benzamide CAS Name: 4-chloro-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(hexanoylamino)carbamothioyl]benzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-4-chloro-benzamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2S/c1-2-3-4-5-12(19)17-18-14(21)16-13(20)10-6-8-11(15)9-7-10/h6-9H,2-5H2,1H3,(H,17,19)(H2,16,18,20,21)