3-bromanyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C25H24BrN3O3S/c1-2-15-32-21-14-13-19(16-20(21)26)23(30)27-25(33)29-28-24(31)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,22H,2,15H2,1H3,(H,28,31)(H2,27,29,30,33)