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

Systemtic Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: N-phenyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide CAS Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-N-phenyl-1,4-diazepane-1-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-17-8-10-18(11-9-17)16-20-24-22(29-25-20)27-13-5-12-26(14-15-27)21(28)23-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H,23,28)