4-pentoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-pentoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-pentoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: 4-pentoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-amoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

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