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

Systemtic Name: 1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-methylanilino)-2-oxo-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(4-methylanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-methylanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-keto-2-(p-toluidino)ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H23N5O4S MolecularWeight: 453.51412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-14-2-4-16(5-3-14)23-20(28)13-26-10-8-15(9-11-26)21(29)25-22-24-18-7-6-17(27(30)31)12-19(18)32-22/h2-7,12,15H,8-11,13H2,1H3,(H,23,28)(H,24,25,29)