N-[(hexanoylamino)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-4-isopropyl-benzamide Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-4-5-6-7-15(21)19-20-17(23)18-16(22)14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3,(H,19,21)(H2,18,20,22,23)