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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC#C

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC#C

InChI

InChI=1S/C21H20N2O2S2/c1-3-4-5-10-20(24)22-16-11-12-17-19(13-16)27-21(23-17)26-14-15-8-6-7-9-18(15)25-2/h1,6-9,11-13H,4-5,10,14H2,2H3,(H,22,24)