4-bromanyl-N-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-bromo-N-[2-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-bromo-N-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-bromo-N-[2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-bromo-N-[2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C23H17BrClN3O2S2 MolecularWeight: 546.88698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H17BrClN3O2S2/c1-13-2-7-16(25)10-19(13)27-21(29)12-31-23-28-18-9-8-17(11-20(18)32-23)26-22(30)14-3-5-15(24)6-4-14/h2-11H,12H2,1H3,(H,26,30)(H,27,29)