N-[4-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]propanamide

Systemtic Name: N-[4-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]propanamide Openeye Name: N-[4-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide CAS Name: N-[4-[[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]propanamide IUPAC Name: N-[4-[[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide Traditional Name: N-[4-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]propionamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C20H21BrN4O4S/c1-3-17(26)22-15-7-4-13(5-8-15)19(28)24-25-20(30)23-18(27)11-29-16-9-6-14(21)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,30)