N-(furan-2-ylmethyl)-N'-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pentanediamide

Systemtic Name: N-(furan-2-ylmethyl)-N'-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pentanediamide Openeye Name: N-(2-furylmethyl)-N'-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pentanediamide CAS Name: N-(2-furanylmethyl)-N'-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]pentanediamide IUPAC Name: N-(furan-2-ylmethyl)-N'-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)pentanediamide Traditional Name: N-(2-furfuryl)-N'-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]glutaramide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C24H27N3O3S2/c1-2-3-4-5-6-15-31-24-27-20-13-12-18(16-21(20)32-24)26-23(29)11-7-10-22(28)25-17-19-9-8-14-30-19/h8-9,12-14,16H,2-3,6-7,10-11,15,17H2,1H3,(H,25,28)(H,26,29)