2-(3-methylbutoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-16(2)14-15-28-19-11-7-6-10-18(19)21(27)23-22(29)25-24-20(26)13-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,24,26)(H2,23,25,27,29)