3-butoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

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