1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]-N-phenyl-isonipecotamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c22-15-6-7-18-17(12-15)24-21(29-18)28-13-19(26)25-10-8-14(9-11-25)20(27)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,27)