3-bromanyl-N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H23BrN4O4S MolecularWeight: 519.41142

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)Br

InChI

InChI=1S/C22H23BrN4O4S/c1-2-11-31-18-10-7-15(12-17(18)23)20(29)25-22(32)27-26-21(30)14-5-8-16(9-6-14)24-19(28)13-3-4-13/h5-10,12-13H,2-4,11H2,1H3,(H,24,28)(H,26,30)(H2,25,27,29,32)