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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2,2-diphenylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-2-3-16-33-22-15-14-20(17-21(22)27)24(31)28-26(34)30-29-25(32)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,17,23H,2-3,16H2,1H3,(H,29,32)(H2,28,30,31,34)