N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-piperidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-piperidin-1-ylcarbonyl-benzamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-(piperidine-1-carbonyl)benzamide CAS Name: 2-[oxo(1-piperidinyl)methyl]-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-(piperidine-1-carbonyl)benzamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-2-(piperidine-1-carbonyl)benzamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S2/c31-25(21-11-5-6-12-22(21)26(32)30-15-7-2-8-16-30)28-20-13-14-23-24(17-20)34-27(29-23)33-18-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16,18H2,(H,28,31)