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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)pyrrole-2-carboxamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=CN1C2=NN=C(S2)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)C1=CC=CN1C2=NN=C(S2)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-17(18-10-5-4-6-11-18)16-23-20(28)19-12-9-15-27(19)22-25-24-21(29-22)26-13-7-2-3-8-14-26/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3,(H,23,28)