5-bromanyl-N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[(4-chlorobenzoyl)amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C21H23BrClN3O3S MolecularWeight: 512.84762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O3S/c1-2-3-4-5-12-29-18-11-8-15(22)13-17(18)20(28)24-21(30)26-25-19(27)14-6-9-16(23)10-7-14/h6-11,13H,2-5,12H2,1H3,(H,25,27)(H2,24,26,28,30)