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

Systemtic Name: 4-tert-butyl-N-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-(2-anilino-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide CAS Name: N-[2-[(2-anilino-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide IUPAC Name: N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide Traditional Name: N-[2-[(2-anilino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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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)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S2/c1-26(2,3)18-11-9-17(10-12-18)24(31)28-20-13-14-21-22(15-20)33-25(29-21)32-16-23(30)27-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31)