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

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H25N5O6S/c1-33-18-6-3-15(11-19(18)34-2)24-21(29)13-27-9-7-14(8-10-27)22(30)26-23-25-17-5-4-16(28(31)32)12-20(17)35-23/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,29)(H,25,26,30)