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

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-butoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)CC)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)CC)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-3-5-12-29-17-9-7-16(8-10-17)21(28)24-22(31)26-25-20(27)14-30-19-11-6-15(4-2)13-18(19)23/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,27)(H2,24,26,28,31)