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

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-propoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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