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

Systemtic Name: 4-heptoxy-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-heptoxy-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-heptoxy-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-heptoxy-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-heptoxy-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H29N3O2S2/c1-2-3-4-5-8-18-32-23-16-14-21(15-17-23)25(31)28-26-29-30-27(34-26)33-19-22-12-9-11-20-10-6-7-13-24(20)22/h6-7,9-17H,2-5,8,18-19H2,1H3,(H,28,29,31)