N-[4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(4-bromo-3-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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