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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2,4-difluorophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-difluorophenyl)-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Formula: C22H23F2N5OS MolecularWeight: 443.512726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H23F2N5OS/c1-15-3-5-16(6-4-15)13-20-26-22(31-27-20)29-10-2-9-28(11-12-29)21(30)25-19-8-7-17(23)14-18(19)24/h3-8,14H,2,9-13H2,1H3,(H,25,30)