3-(2-chlorophenyl)-N-[(hexanoylamino)carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(hexanoylamino)carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[(hexanoylamino)carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[(hexanoylamino)carbamothioyl]propanamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1Cl

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1Cl

InChI

InChI=1S/C16H22ClN3O2S/c1-2-3-4-9-15(22)19-20-16(23)18-14(21)11-10-12-7-5-6-8-13(12)17/h5-8H,2-4,9-11H2,1H3,(H,19,22)(H2,18,20,21,23)