1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,5-dimethylanilino)-2-keto-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C23H25N5O4S MolecularWeight: 467.5407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-14-9-15(2)11-17(10-14)24-21(29)13-27-7-5-16(6-8-27)22(30)26-23-25-19-4-3-18(28(31)32)12-20(19)33-23/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,24,29)(H,25,26,30)