N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(phenylcarbonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(phenylcarbonyl)piperidine-4-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-benzoyl-piperidine-4-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-1-benzoyl-4-piperidinecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-benzoylpiperidine-4-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-1-benzoyl-isonipecotamide Formula: C27H24N6O2S2 MolecularWeight: 528.64846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H24N6O2S2/c34-25(18-12-14-32(15-13-18)26(35)19-6-2-1-3-7-19)28-20-10-11-22-24(16-20)37-27(29-22)36-17-33-23-9-5-4-8-21(23)30-31-33/h1-11,16,18H,12-15,17H2,(H,28,34)