3-bromanyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O5S/c1-3-10-28-17-9-4-13(11-16(17)21)19(26)22-20(30)24-23-18(25)12-29-15-7-5-14(27-2)6-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,23,25)(H2,22,24,26,30)