N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O4S/c1-2-3-4-8-20-35-25-17-13-24(14-18-25)28(34)31-32-29(37)30-27(33)23-11-15-26(16-12-23)36-21-19-22-9-6-5-7-10-22/h5-7,9-18H,2-4,8,19-21H2,1H3,(H,31,34)(H2,30,32,33,37)