N-tert-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-tert-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-tert-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: N-tert-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-tert-butyl-4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Formula: C20H29N5O2S MolecularWeight: 403.54156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H29N5O2S/c1-20(2,3)22-18(26)24-9-6-10-25(12-11-24)19-21-17(23-28-19)14-15-7-5-8-16(13-15)27-4/h5,7-8,13H,6,9-12,14H2,1-4H3,(H,22,26)