(2S)-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-phenyl-propionamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-3-20(13-7-5-4-6-8-13)17(22)12(2)25-18-19-15-10-9-14(21(23)24)11-16(15)26-18/h4-12H,3H2,1-2H3/t12-/m0/s1