4-hexoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-2-3-4-8-19-33-24-17-15-22(16-18-24)25(31)28-27(34)30-29-26(32)23-13-11-21(12-14-23)20-9-6-5-7-10-20/h5-7,9-18H,2-4,8,19H2,1H3,(H,29,32)(H2,28,30,31,34)