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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Formula: C22H23ClFN5OS MolecularWeight: 459.967323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClFN5OS/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)25-17-7-8-19(24)18(23)14-17/h3-8,14H,2,9-13H2,1H3,(H,25,30)