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

Systemtic Name: 4-bromanyl-N-[2-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-bromo-N-[2-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-bromo-N-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-bromo-N-[2-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-bromo-N-[2-[[2-(4-hydroxyphenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H15BrN2O3S2 MolecularWeight: 499.4001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H15BrN2O3S2/c23-15-5-1-14(2-6-15)21(28)24-16-7-10-18-20(11-16)30-22(25-18)29-12-19(27)13-3-8-17(26)9-4-13/h1-11,26H,12H2,(H,24,28)