N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-ethoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)C)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-4-28-16-7-5-6-15(10-16)20(27)23-21(30)25-24-19(26)12-29-18-9-8-14(13(2)3)11-17(18)22/h5-11,13H,4,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)