N-(3-phenylpropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-phenylpropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-phenylpropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(3-phenylpropyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(3-phenylpropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-phenylpropyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCC2=CC=CC=C2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCCC2=CC=CC=C2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C21H25N5OS/c27-19(22-12-6-9-17-7-2-1-3-8-17)18-10-15-26(16-11-18)21-24-23-20(28-21)25-13-4-5-14-25/h1-5,7-8,13-14,18H,6,9-12,15-16H2,(H,22,27)