3-bromanyl-4-hexoxy-N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C)Br

InChI

InChI=1S/C23H28BrN3O4S/c1-3-4-5-8-13-30-20-12-11-17(14-18(20)24)22(29)25-23(32)27-26-21(28)15-31-19-10-7-6-9-16(19)2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3,(H,26,28)(H2,25,27,29,32)