4-tert-butyl-N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H25N3O3S2/c1-25(2,3)17-8-6-16(7-9-17)23(30)27-18-10-11-20-21(13-18)33-24(28-20)32-15-22(29)26-14-19-5-4-12-31-19/h4-13H,14-15H2,1-3H3,(H,26,29)(H,27,30)