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

Systemtic Name: N-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-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:

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

Isomeric SMILES

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

InChI

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