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

Systemtic Name: N-(furan-2-ylmethyl)-N'-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pentanediamide Openeye Name: N-(2-furylmethyl)-N'-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pentanediamide CAS Name: N-(2-furanylmethyl)-N'-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]pentanediamide IUPAC Name: N-(furan-2-ylmethyl)-N'-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]pentanediamide Traditional Name: N-(2-furfuryl)-N'-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]glutaramide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC(=O)NCC4=CC=CO4

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H25N3O4S2/c1-31-21-8-3-2-6-17(21)16-33-25-28-20-12-11-18(14-22(20)34-25)27-24(30)10-4-9-23(29)26-15-19-7-5-13-32-19/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,26,29)(H,27,30)