N-(furan-2-ylmethyl)-N'-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]pentanediamide

Systemtic Name: N-(furan-2-ylmethyl)-N'-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]pentanediamide Openeye Name: N'-[2-(2-allyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]-N-(2-furylmethyl)pentanediamide CAS Name: N-(2-furanylmethyl)-N'-[2-(2-prop-2-enoxyethylthio)-1,3-benzothiazol-6-yl]pentanediamide IUPAC Name: N-(furan-2-ylmethyl)-N'-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]pentanediamide Traditional Name: N'-[2-(2-allyloxyethylthio)-1,3-benzothiazol-6-yl]-N-(2-furfuryl)glutaramide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3

Isomeric SMILES

C=CCOCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H25N3O4S2/c1-2-10-28-12-13-30-22-25-18-9-8-16(14-19(18)31-22)24-21(27)7-3-6-20(26)23-15-17-5-4-11-29-17/h2,4-5,8-9,11,14H,1,3,6-7,10,12-13,15H2,(H,23,26)(H,24,27)