N-[(hexanoylamino)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]butanamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-methyl-butyramide Formula: C12H23N3O2S MolecularWeight: 273.39492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O2S/c1-4-5-6-7-10(16)14-15-12(18)13-11(17)8-9(2)3/h9H,4-8H2,1-3H3,(H,14,16)(H2,13,15,17,18)