1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C25H25N5O5S MolecularWeight: 507.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5S/c1-15-2-4-18(5-3-15)29-14-17(12-22(29)31)24(33)28-10-8-16(9-11-28)23(32)27-25-26-20-7-6-19(30(34)35)13-21(20)36-25/h2-7,13,16-17H,8-12,14H2,1H3,(H,26,27,32)