(3R)-1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]nipecotamide Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C15H16N4O4S2/c16-14(21)9-2-1-5-18(7-9)13(20)8-24-15-17-11-4-3-10(19(22)23)6-12(11)25-15/h3-4,6,9H,1-2,5,7-8H2,(H2,16,21)/t9-/m1/s1