2,4-dimethoxy-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2,4-dimethoxy-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2,4-dimethoxy-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2,4-dimethoxy-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2,4-dimethoxy-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3)OC

InChI

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