2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]-N-phenethyl-acetamide CAS Name: 2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]-N-phenethylacetamide IUPAC Name: 2-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]-N-phenethylacetamide Traditional Name: 2-[(3-m-anisyl-1,2,4-thiadiazol-5-yl)-methyl-amino]-N-phenethyl-acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCC1=CC=CC=C1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN(CC(=O)NCCC1=CC=CC=C1)C2=NC(=NS2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-25(15-20(26)22-12-11-16-7-4-3-5-8-16)21-23-19(24-28-21)14-17-9-6-10-18(13-17)27-2/h3-10,13H,11-12,14-15H2,1-2H3,(H,22,26)