(2S)-2-(4-nitrophenyl)sulfanyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]propanamide

Systemtic Name: (2S)-2-(4-nitrophenyl)sulfanyl-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]propanamide Openeye Name: (2S)-N-[2-(isopropylamino)-2-oxo-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-[(4-nitrophenyl)thio]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide IUPAC Name: (2S)-2-(4-nitrophenyl)sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide Traditional Name: (2S)-N-[2-(isopropylamino)-2-keto-ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)NC(C)C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c1-9(2)16-13(18)8-15-14(19)10(3)22-12-6-4-11(5-7-12)17(20)21/h4-7,9-10H,8H2,1-3H3,(H,15,19)(H,16,18)/t10-/m0/s1