3-butan-2-yloxy-N-[(hexanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-butan-2-yloxy-N-[(hexanoylamino)carbamothioyl]benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3-sec-butoxy-benzamide CAS Name: 3-butan-2-yloxy-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butan-2-yloxy-N-[(hexanoylamino)carbamothioyl]benzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-sec-butoxy-benzamide Formula: C18H27N3O3S MolecularWeight: 365.49028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-4-6-7-11-16(22)20-21-18(25)19-17(23)14-9-8-10-15(12-14)24-13(3)5-2/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,22)(H2,19,21,23,25)