N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S2/c1-3-13-4-6-14(7-5-13)12(2)20-18(23)11-26-19-21-16-9-8-15(22(24)25)10-17(16)27-19/h4-10,12H,3,11H2,1-2H3,(H,20,23)/t12-/m0/s1