N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)C3CCCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)C3CCCCC3)OC

InChI

InChI=1S/C18H22N4O5S/c1-3-27-15-10-13(22(24)25)12(9-14(15)26-2)16(23)19-18-21-20-17(28-18)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,19,21,23)