5-bromanyl-N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2)C

InChI

InChI=1S/C20H22BrN3O4S/c1-3-9-27-17-8-7-14(21)11-16(17)19(26)22-20(29)24-23-18(25)12-28-15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3,(H,23,25)(H2,22,24,26,29)