4-hexoxy-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-hexoxy-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-hexoxy-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-hexoxy-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-hexoxy-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-hexoxy-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H27N3O2S2/c1-2-3-4-7-17-31-22-15-13-20(14-16-22)24(30)27-25-28-29-26(33-25)32-18-21-11-8-10-19-9-5-6-12-23(19)21/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,27,28,30)