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

Systemtic Name: 2-bromanyl-N-[2-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[[2-oxo-2-(2-phenoxyethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[[2-keto-2-(2-phenoxyethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C24H20BrN3O3S2 MolecularWeight: 542.4679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H20BrN3O3S2/c25-19-9-5-4-8-18(19)23(30)27-16-10-11-20-21(14-16)33-24(28-20)32-15-22(29)26-12-13-31-17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,26,29)(H,27,30)