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

Systemtic Name: 3-bromanyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-18(2)15-16-34-23-14-13-21(17-22(23)28)25(32)29-27(35)31-30-26(33)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17-18,24H,15-16H2,1-2H3,(H,30,33)(H2,29,31,32,35)