4-[[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]methyl]benzamide

Systemtic Name: 4-[[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]methyl]benzamide Openeye Name: 4-[[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]methyl]benzamide CAS Name: 4-[[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]methyl]benzamide IUPAC Name: 4-[[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]methyl]benzamide Traditional Name: 4-[[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]methyl]benzamide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCSCC(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCSCC(=O)N)C(=O)N

InChI

InChI=1S/C13H17N3O3S/c14-11(17)8-20-6-5-12(18)16-7-9-1-3-10(4-2-9)13(15)19/h1-4H,5-8H2,(H2,14,17)(H2,15,19)(H,16,18)