(4-butylphenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone CAS Name: (4-butylphenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-butylphenyl)-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone Formula: C25H29ClN4OS MolecularWeight: 469.04196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4OS/c1-2-3-5-19-6-10-21(11-7-19)24(31)29-14-4-15-30(17-16-29)25-27-23(28-32-25)18-20-8-12-22(26)13-9-20/h6-13H,2-5,14-18H2,1H3