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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NCCCC4=CC=CC=C4

InChI

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