N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-1-(2-nitrophenyl)isonipecotamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC(=CS2)CC(=O)N)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC(=CS2)CC(=O)N)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4S/c18-15(23)9-12-10-27-17(19-12)20-16(24)11-5-7-21(8-6-11)13-3-1-2-4-14(13)22(25)26/h1-4,10-11H,5-9H2,(H2,18,23)(H,19,20,24)