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

Systemtic Name: 3-chloranyl-N-[(hexanoylamino)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[(hexanoylamino)carbamothioyl]benzamide CAS Name: 3-chloro-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[(hexanoylamino)carbamothioyl]benzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-chloro-benzamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2S/c1-2-3-4-8-12(19)17-18-14(21)16-13(20)10-6-5-7-11(15)9-10/h5-7,9H,2-4,8H2,1H3,(H,17,19)(H2,16,18,20,21)