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

Systemtic Name: 4-bromanyl-N-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-bromo-N-[2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-bromo-N-[2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-bromo-N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-bromo-N-[2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C26H24BrN3O2S2 MolecularWeight: 554.52166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H24BrN3O2S2/c1-3-16-6-5-7-17(4-2)24(16)30-23(31)15-33-26-29-21-13-12-20(14-22(21)34-26)28-25(32)18-8-10-19(27)11-9-18/h5-14H,3-4,15H2,1-2H3,(H,28,32)(H,30,31)