2-pentoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-pentoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-pentoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: 2-pentoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-amoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-2-3-9-17-33-24-16-8-7-15-23(24)26(32)30-27(34)29-22-14-10-13-21(19-22)28-25(31)18-20-11-5-4-6-12-20/h4-8,10-16,19H,2-3,9,17-18H2,1H3,(H,28,31)(H2,29,30,32,34)