2-methoxy-4-methylsulfanyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=NN=C(S2)CCCOC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=NN=C(S2)CCCOC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c1-25-17-13-15(27-2)10-11-16(17)19(24)21-20-23-22-18(28-20)9-6-12-26-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,21,23,24)