N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(4-methylpyridin-2-yl)butanediamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(4-methylpyridin-2-yl)butanediamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(4-methyl-2-pyridyl)butanediamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-N'-(4-methyl-2-pyridinyl)butanediamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(4-methylpyridin-2-yl)butanediamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-N'-(4-methyl-2-pyridyl)succinamide Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)NC3=NC=CC(=C3)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)NC3=NC=CC(=C3)C

InChI

InChI=1S/C24H26N4O2S2/c1-3-4-5-6-7-14-31-24-27-19-9-8-18(16-20(19)32-24)26-22(29)10-11-23(30)28-21-15-17(2)12-13-25-21/h8-9,12-13,15-16H,3-4,7,10-11,14H2,1-2H3,(H,26,29)(H,25,28,30)