4-pentoxy-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-pentoxy-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-pentoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: 4-pentoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-amoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-2-3-7-18-33-23-16-12-22(13-17-23)26(32)28-27(35)30-29-25(31)19-34-24-14-10-21(11-15-24)20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18-19H2,1H3,(H,29,31)(H2,28,30,32,35)