N-[4-[2,3-bis(3-oxidanylidenebutanethioylamino)propyl]phenyl]-2-bromanyl-ethanamide

Systemtic Name: N-[4-[2,3-bis(3-oxidanylidenebutanethioylamino)propyl]phenyl]-2-bromanyl-ethanamide Openeye Name: N-[4-[2,3-bis(3-oxobutanethioylamino)propyl]phenyl]-2-bromo-acetamide CAS Name: N-[4-[2,3-bis[(3-oxo-1-sulfanylidenebutyl)amino]propyl]phenyl]-2-bromoacetamide IUPAC Name: N-[4-[2,3-bis(3-oxobutanethioylamino)propyl]phenyl]-2-bromoacetamide Traditional Name: N-[4-[2,3-bis(3-ketobutanethioylamino)propyl]phenyl]-2-bromo-acetamide Formula: C19H24BrN3O3S2 MolecularWeight: 486.44616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=S)NCC(CC1=CC=C(C=C1)NC(=O)CBr)NC(=S)CC(=O)C

Isomeric SMILES

CC(=O)CC(=S)NCC(CC1=CC=C(C=C1)NC(=O)CBr)NC(=S)CC(=O)C

InChI

InChI=1S/C19H24BrN3O3S2/c1-12(24)7-18(27)21-11-16(23-19(28)8-13(2)25)9-14-3-5-15(6-4-14)22-17(26)10-20/h3-6,16H,7-11H2,1-2H3,(H,21,27)(H,22,26)(H,23,28)