1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-piperidin-1-ylpropyl)pyrrole-2-carboxamide

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-piperidin-1-ylpropyl)pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(1-piperidyl)propyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[3-(1-piperidinyl)propyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-piperidin-1-ylpropyl)pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-piperidinopropyl)pyrrole-2-carboxamide Formula: C21H32N6OS MolecularWeight: 416.58338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCCCN4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCCCN4CCCCC4

InChI

InChI=1S/C21H32N6OS/c28-19(22-11-9-14-25-12-4-3-5-13-25)18-10-8-17-27(18)21-24-23-20(29-21)26-15-6-1-2-7-16-26/h8,10,17H,1-7,9,11-16H2,(H,22,28)