3-(2-ethoxyethoxy)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-(2-ethoxyethoxy)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-(2-ethoxyethoxy)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-(2-ethoxyethoxy)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-ethoxyethoxy)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-(2-ethoxyethoxy)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S/c1-3-5-6-7-15-32-21-13-11-19(12-14-21)24(30)27-28-25(34)26-23(29)20-9-8-10-22(18-20)33-17-16-31-4-2/h8-14,18H,3-7,15-17H2,1-2H3,(H,27,30)(H2,26,28,29,34)