3,4-diethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3,4-diethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3,4-diethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3,4-diethoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4-diethoxy-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3,4-diethoxy-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H21N3O4S2/c1-3-27-17-11-10-15(12-18(17)28-4-2)19(26)22-20-23-24-21(30-20)29-13-16(25)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,22,23,26)