1-(1,3-benzothiazol-2-yl)-N-[3-(propanoylamino)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-N-[3-(propanoylamino)phenyl]piperidine-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-N-[3-(propanoylamino)phenyl]piperidine-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-N-[3-(1-oxopropylamino)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-[3-(propanoylamino)phenyl]piperidine-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-N-(3-propionamidophenyl)nipecotamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O2S/c1-2-20(27)23-16-8-5-9-17(13-16)24-21(28)15-7-6-12-26(14-15)22-25-18-10-3-4-11-19(18)29-22/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3,(H,23,27)(H,24,28)