3-(4-butoxy-3-ethoxy-phenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(4-butoxy-3-ethoxyphenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=NN=C(S2)SCCCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=NN=C(S2)SCCCC)OCC

InChI

InChI=1S/C21H31N3O3S2/c1-4-7-13-27-17-11-9-16(15-18(17)26-6-3)10-12-19(25)22-20-23-24-21(29-20)28-14-8-5-2/h9,11,15H,4-8,10,12-14H2,1-3H3,(H,22,23,25)