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

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S2/c1-10-4-2-3-5-12(10)17-15(20)9-23-16-18-13-7-6-11(19(21)22)8-14(13)24-16/h6-8,10,12H,2-5,9H2,1H3,(H,17,20)/t10-,12-/m0/s1