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

Systemtic Name: 5-bromanyl-2-propoxy-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-propoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-2-propoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-propoxy-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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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=CC=C2OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCCC

InChI

InChI=1S/C21H24BrN3O4S/c1-3-11-28-17-8-6-5-7-15(17)20(27)24-25-21(30)23-19(26)16-13-14(22)9-10-18(16)29-12-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,24,27)(H2,23,25,26,30)