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

Systemtic Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Openeye Name: N-(1-naphthyl)-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-(1-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N5OS/c1-19-10-12-20(13-11-19)18-24-28-26(33-29-24)31-15-5-14-30(16-17-31)25(32)27-23-9-4-7-21-6-2-3-8-22(21)23/h2-4,6-13H,5,14-18H2,1H3,(H,27,32)