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

Systemtic Name: N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S2/c1-10-4-2-3-5-12(10)18-16(23)20-15(22)9-26-17-19-13-7-6-11(21(24)25)8-14(13)27-17/h6-8,10,12H,2-5,9H2,1H3,(H2,18,20,22,23)/t10-,12-/m0/s1