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

Systemtic Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-N-(2-ethylphenyl)-1,4-diazepane-1-carboxamide Formula: C23H26ClN5OS MolecularWeight: 456.00344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN5OS/c1-2-18-6-3-4-7-20(18)25-22(30)28-12-5-13-29(15-14-28)23-26-21(27-31-23)16-17-8-10-19(24)11-9-17/h3-4,6-11H,2,5,12-16H2,1H3,(H,25,30)