1-(2-azanyl-2-oxidanylidene-ethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-azanyl-2-oxidanylidene-ethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(2-amino-2-oxo-ethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(2-amino-2-oxoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2-amino-2-oxoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(2-amino-2-keto-ethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C15H17N5O4S/c16-13(21)8-19-5-3-9(4-6-19)14(22)18-15-17-11-2-1-10(20(23)24)7-12(11)25-15/h1-2,7,9H,3-6,8H2,(H2,16,21)(H,17,18,22)