2-bromanyl-N-[2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-bromanyl-N-[2-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[1-methyl-2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[[1-(4-methylanilino)-1-oxopropan-2-yl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[[2-keto-1-methyl-2-(p-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C24H20BrN3O2S2 MolecularWeight: 526.4685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H20BrN3O2S2/c1-14-7-9-16(10-8-14)26-22(29)15(2)31-24-28-20-12-11-17(13-21(20)32-24)27-23(30)18-5-3-4-6-19(18)25/h3-13,15H,1-2H3,(H,26,29)(H,27,30)