N-[3-[(2-bromophenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[3-[(2-bromophenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[1-[(2-bromophenyl)methylsulfanylmethyl]-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[3-[(2-bromophenyl)methylthio]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[3-[(2-bromophenyl)methylsulfanyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[1-[[(2-bromobenzyl)thio]methyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2Br)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2Br)C(=O)NCC#N

InChI

InChI=1S/C19H18BrN3O2S/c20-16-9-5-4-8-15(16)12-26-13-17(19(25)22-11-10-21)23-18(24)14-6-2-1-3-7-14/h1-9,17H,11-13H2,(H,22,25)(H,23,24)