(2S)-2-azanyl-N-(4-nitrophenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2S)-2-azanyl-N-(4-nitrophenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2S)-2-amino-3-benzylsulfanyl-N-(4-nitrophenyl)propanamide CAS Name: (2S)-2-amino-N-(4-nitrophenyl)-3-(phenylmethylthio)propanamide IUPAC Name: (2S)-2-amino-3-benzylsulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: (2S)-2-amino-3-(benzylthio)-N-(4-nitrophenyl)propionamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSC[C@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)/t15-/m1/s1