(2R)-N-(cyclohexylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S2/c1-10(15(22)20-16(23)18-11-5-3-2-4-6-11)26-17-19-13-8-7-12(21(24)25)9-14(13)27-17/h7-11H,2-6H2,1H3,(H2,18,20,22,23)/t10-/m1/s1