(2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-chlorophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-amino-2-oxo-ethyl)-3-(4-chlorophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-[(4-chlorophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-(4-chlorophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-amino-2-keto-ethyl)-3-[(4-chlorophenyl)thio]propionamide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)NCC(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)NCC(=O)N

InChI

InChI=1S/C13H16ClN3O3S/c1-8(18)17-11(13(20)16-6-12(15)19)7-21-10-4-2-9(14)3-5-10/h2-5,11H,6-7H2,1H3,(H2,15,19)(H,16,20)(H,17,18)/t11-/m1/s1