N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C26H26BrN3O5S MolecularWeight: 572.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O5S/c1-2-18-8-13-23(22(27)16-18)35-17-24(31)29-30-26(36)28-25(32)19-9-11-21(12-10-19)34-15-14-33-20-6-4-3-5-7-20/h3-13,16H,2,14-15,17H2,1H3,(H,29,31)(H2,28,30,32,36)