N-benzo[e][1,3]benzothiazol-2-yl-1-pyrrolidin-1-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-pyrrolidin-1-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-[oxo(1-pyrrolidinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(pyrrolidine-1-carbonyl)isonipecotamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)C(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C22H24N4O2S/c27-20(16-9-13-26(14-10-16)22(28)25-11-3-4-12-25)24-21-23-19-17-6-2-1-5-15(17)7-8-18(19)29-21/h1-2,5-8,16H,3-4,9-14H2,(H,23,24,27)