N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O4S/c1-18(2)21-10-13-24(23(28)16-21)35-17-25(32)30-31-27(36)29-26(33)20-8-11-22(12-9-20)34-15-14-19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,32)(H2,29,31,33,36)