5-(azepan-1-ylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(azepan-1-ylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(azepan-1-ylmethyl)-N-(p-tolylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-(1-azepanylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(azepan-1-ylmethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-(azepan-1-ylmethyl)-N-(4-methylbenzyl)-1,3,4-thiadiazole-2-carboxamide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCCCCC3

InChI

InChI=1S/C18H24N4OS/c1-14-6-8-15(9-7-14)12-19-17(23)18-21-20-16(24-18)13-22-10-4-2-3-5-11-22/h6-9H,2-5,10-13H2,1H3,(H,19,23)