N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C17H24BrN3O3S MolecularWeight: 430.35976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O3S/c1-4-5-6-15(22)19-17(25)21-20-16(23)10-24-14-8-7-12(11(2)3)9-13(14)18/h7-9,11H,4-6,10H2,1-3H3,(H,20,23)(H2,19,21,22,25)