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

Systemtic Name: 4-pentoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-pentoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: 4-pentoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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