N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(5-methylisoxazol-3-yl)pentanediamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-N'-(5-methyl-3-isoxazolyl)pentanediamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-N'-(5-methylisoxazol-3-yl)glutaramide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S2/c1-3-4-5-6-7-13-31-23-25-18-12-11-17(15-19(18)32-23)24-21(28)9-8-10-22(29)26-20-14-16(2)30-27-20/h11-12,14-15H,3-4,7-10,13H2,1-2H3,(H,24,28)(H,26,27,29)