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

Systemtic Name: N-[2-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Openeye Name: N-[2-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide CAS Name: N-[2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide IUPAC Name: N-[2-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide Traditional Name: N-[2-[[2-(4-bromo-2-chloro-anilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-tert-butyl-benzamide Formula: C26H23BrClN3O2S2 MolecularWeight: 588.96672

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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=C(C=C(C=C4)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrClN3O2S2/c1-26(2,3)16-6-4-15(5-7-16)24(33)29-18-9-11-21-22(13-18)35-25(31-21)34-14-23(32)30-20-10-8-17(27)12-19(20)28/h4-13H,14H2,1-3H3,(H,29,33)(H,30,32)