2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[(2S)-2-phenylpropyl]acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S2/c1-12(13-5-3-2-4-6-13)10-19-17(22)11-25-18-20-15-8-7-14(21(23)24)9-16(15)26-18/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m1/s1