N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide

Systemtic Name: N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C19H18N2OS3 MolecularWeight: 386.55402

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

Isomeric SMILES

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3

InChI

InChI=1S/C19H18N2OS3/c1-2-3-4-5-18(22)20-15-6-7-16-17(12-15)25-19(21-16)24-11-9-14-8-10-23-13-14/h1,6-8,10,12-13H,3-5,9,11H2,(H,20,22)