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

Systemtic Name: N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]propanamide Openeye Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide CAS Name: N-[4-[[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]propanamide IUPAC Name: N-[4-[[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]propanamide Traditional Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]propionamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC)Br

InChI

InChI=1S/C21H23BrN4O4S/c1-3-13-5-10-17(16(22)11-13)30-12-19(28)24-21(31)26-25-20(29)14-6-8-15(9-7-14)23-18(27)4-2/h5-11H,3-4,12H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,31)