N-[2-(4-bromophenyl)sulfanylethyl]-2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-amino]ethanamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-amino]acetamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-2-[[2-(cyclopropylamino)-2-keto-ethyl]-methyl-amino]acetamide Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCSC1=CC=C(C=C1)Br)CC(=O)NC2CC2

Isomeric SMILES

CN(CC(=O)NCCSC1=CC=C(C=C1)Br)CC(=O)NC2CC2

InChI

InChI=1S/C16H22BrN3O2S/c1-20(11-16(22)19-13-4-5-13)10-15(21)18-8-9-23-14-6-2-12(17)3-7-14/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)