N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]butanamide

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]butanamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]butanamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]butanamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]butyramide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C14H18BrN3O3S/c1-3-4-12(19)16-14(22)18-17-13(20)8-21-11-6-5-10(15)7-9(11)2/h5-7H,3-4,8H2,1-2H3,(H,17,20)(H2,16,18,19,22)