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

Systemtic Name: 3-bromanyl-N-[[(2,4-dichlorophenyl)carbonylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[(2,4-dichlorobenzoyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H22BrCl2N3O3S MolecularWeight: 547.29268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrCl2N3O3S/c1-2-3-4-5-10-30-18-9-6-13(11-16(18)22)19(28)25-21(31)27-26-20(29)15-8-7-14(23)12-17(15)24/h6-9,11-12H,2-5,10H2,1H3,(H,26,29)(H2,25,27,28,31)