5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C24H30BrN3O4S MolecularWeight: 536.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O4S/c1-3-5-6-7-15-31-19-11-8-17(9-12-19)22(29)27-28-24(33)26-23(30)20-16-18(25)10-13-21(20)32-14-4-2/h8-13,16H,3-7,14-15H2,1-2H3,(H,27,29)(H2,26,28,30,33)