1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(1-naphthylamino)-2-oxo-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(1-naphthalenylamino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-keto-2-(1-naphthylamino)ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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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)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H23N5O4S/c31-23(26-20-7-3-5-16-4-1-2-6-19(16)20)15-29-12-10-17(11-13-29)24(32)28-25-27-21-9-8-18(30(33)34)14-22(21)35-25/h1-9,14,17H,10-13,15H2,(H,26,31)(H,27,28,32)