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

Systemtic Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C18H22N2OS3 MolecularWeight: 378.57508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC#C

InChI

InChI=1S/C18H22N2OS3/c1-4-5-6-7-17(21)19-14-8-9-15-16(12-14)24-18(20-15)23-11-10-22-13(2)3/h1,8-9,12-13H,5-7,10-11H2,2-3H3,(H,19,21)