3,5-bis(chloranyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H23Cl2N3O3S MolecularWeight: 468.39662

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O3S/c1-2-3-4-5-10-29-18-8-6-14(7-9-18)20(28)25-26-21(30)24-19(27)15-11-16(22)13-17(23)12-15/h6-9,11-13H,2-5,10H2,1H3,(H,25,28)(H2,24,26,27,30)