2,4-bis(chloranyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2,4-dichloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 2,4-dichloro-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2,4-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=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

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