5-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonyl-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H26FN5O3S MolecularWeight: 459.536943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5O3S/c23-16-5-7-17(8-6-16)24-18(29)19-25-26-20(32-19)22(31)28-13-9-15(10-14-28)21(30)27-11-3-1-2-4-12-27/h5-8,15H,1-4,9-14H2,(H,24,29)