5-bromanyl-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C23H28BrN3O4S/c1-4-12-31-20-10-7-17(24)14-19(20)22(29)25-23(32)27-26-21(28)16-5-8-18(9-6-16)30-13-11-15(2)3/h5-10,14-15H,4,11-13H2,1-3H3,(H,26,28)(H2,25,27,29,32)