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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-15(2)14-27-18-11-9-17(10-12-18)20(26)22-21(28)24-23-19(25)13-8-16-6-4-3-5-7-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,25)(H2,22,24,26,28)