N-[[(2,4-dichlorophenyl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[(2,4-dichlorophenyl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[(2,4-dichlorobenzoyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H23Cl2N3O3S MolecularWeight: 468.39662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=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)24-21(30)26-25-20(28)17-11-8-15(22)13-18(17)23/h6-11,13H,2-5,12H2,1H3,(H,25,28)(H2,24,26,27,30)