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

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3OCCCO3

Isomeric SMILES

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3OCCCO3

InChI

InChI=1S/C19H22N2O3S2/c1-2-3-4-6-17(22)20-14-7-8-15-16(13-14)26-19(21-15)25-12-9-18-23-10-5-11-24-18/h1,7-8,13,18H,3-6,9-12H2,(H,20,22)