5-bromanyl-2-(3-methylbutoxy)-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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