4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5OS/c22-17-9-7-16(8-10-17)15-19-24-21(29-25-19)27-12-4-11-26(13-14-27)20(28)23-18-5-2-1-3-6-18/h1-3,5-10H,4,11-15H2,(H,23,28)