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

Systemtic Name: N-(furan-2-ylmethyl)-N'-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pentanediamide Openeye Name: N-(2-furylmethyl)-N'-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pentanediamide CAS Name: N-(2-furanylmethyl)-N'-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]pentanediamide IUPAC Name: N-(furan-2-ylmethyl)-N'-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pentanediamide Traditional Name: N-(2-furfuryl)-N'-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]glutaramide Formula: C22H27N3O3S3 MolecularWeight: 477.66308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H27N3O3S3/c1-15(2)29-11-12-30-22-25-18-9-8-16(13-19(18)31-22)24-21(27)7-3-6-20(26)23-14-17-5-4-10-28-17/h4-5,8-10,13,15H,3,6-7,11-12,14H2,1-2H3,(H,23,26)(H,24,27)