N-[5-(2-diethylaminoethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-hexyl-benzamide

Systemtic Name: N-[5-(2-diethylaminoethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-hexyl-benzamide Openeye Name: N-[5-(2-diethylaminoethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-hexyl-benzamide CAS Name: N-[5-(2-diethylaminoethylthio)-1,3,4-thiadiazol-2-yl]-4-hexylbenzamide IUPAC Name: N-[5-(2-diethylaminoethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-hexylbenzamide Traditional Name: N-[5-(2-diethylaminoethylthio)-1,3,4-thiadiazol-2-yl]-4-hexyl-benzamide Formula: C21H32N4OS2 MolecularWeight: 420.63498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCCN(CC)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCCN(CC)CC

InChI

InChI=1S/C21H32N4OS2/c1-4-7-8-9-10-17-11-13-18(14-12-17)19(26)22-20-23-24-21(28-20)27-16-15-25(5-2)6-3/h11-14H,4-10,15-16H2,1-3H3,(H,22,23,26)