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

Systemtic Name: 2-bromanyl-N-[2-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-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=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)O)Br

Isomeric SMILES

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

InChI

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