N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(2,3,4-trimethoxyphenyl)ethanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(2,3,4-trimethoxyphenyl)ethanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(2,3,4-trimethoxyphenyl)acetamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(2,3,4-trimethoxyphenyl)acetamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(2,3,4-trimethoxyphenyl)acetamide Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C25H28N2O4S2/c1-5-6-7-8-9-14-32-25-27-19-12-11-18(16-21(19)33-25)26-22(28)15-17-10-13-20(29-2)24(31-4)23(17)30-3/h10-13,16H,5-6,9,14-15H2,1-4H3,(H,26,28)