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

Systemtic Name: 4-butan-2-yloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: N-[(3-phenylpropanoylamino)carbamothioyl]-4-sec-butoxy-benzamide CAS Name: 4-butan-2-yloxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butan-2-yloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-3-15(2)27-18-12-10-17(11-13-18)20(26)22-21(28)24-23-19(25)14-9-16-7-5-4-6-8-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,23,25)(H2,22,24,26,28)