4-pentoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-pentoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: 4-pentoxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-amoxy-N-[[(4-benzoxybenzoyl)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)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

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