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

Systemtic Name: N-(pyridin-3-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-pyridylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(3-pyridinylmethyl)-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-pyridylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(S2)N3C=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C18H20N6OS/c25-16(20-12-14-5-3-7-19-11-14)15-6-4-10-24(13-15)18-22-21-17(26-18)23-8-1-2-9-23/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,20,25)