N-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethoxy-benzamide

Systemtic Name: N-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethoxy-benzamide Openeye Name: N-[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethoxy-benzamide CAS Name: N-[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide IUPAC Name: N-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide Traditional Name: N-[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-ethoxy-benzamide Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N4O3S2/c1-2-26-15-10-6-5-9-14(15)17(25)20-18-21-22-19(28-18)27-13-16(24)23-11-7-3-4-8-12-23/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,20,21,25)