1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]-N-phenyl-isonipecotamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

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