N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(3-bromanylphenoxy)butanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(3-bromanylphenoxy)butanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-(3-bromophenoxy)butanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-(3-bromophenoxy)butanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(3-bromophenoxy)butanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-(3-bromophenoxy)butyramide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCOC2=CC(=CC=C2)Br)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCOC2=CC(=CC=C2)Br)SCC(=O)N

InChI

InChI=1S/C18H19BrN2O3S/c19-13-5-3-6-14(11-13)24-10-4-9-18(23)21-15-7-1-2-8-16(15)25-12-17(20)22/h1-3,5-8,11H,4,9-10,12H2,(H2,20,22)(H,21,23)