4-[[[5-(2-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[5-(2-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[5-(2-ethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[5-(2-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[5-(2-ethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: N-methyl-4-[[methyl-[(5-o-phenetyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C(=S)O2)CN(C)CC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C(=S)O2)CN(C)CC3=CC=C(C=C3)C(=O)NC

InChI

InChI=1S/C21H24N4O3S/c1-4-27-18-8-6-5-7-17(18)20-23-25(21(29)28-20)14-24(3)13-15-9-11-16(12-10-15)19(26)22-2/h5-12H,4,13-14H2,1-3H3,(H,22,26)