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

Systemtic Name: 4-bromanyl-N-[2-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-bromo-N-[2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-bromo-N-[2-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-bromo-N-[2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-bromo-N-[2-[[2-keto-2-(1-phenylethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C24H20BrN3O2S2 MolecularWeight: 526.4685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN3O2S2/c1-15(16-5-3-2-4-6-16)26-22(29)14-31-24-28-20-12-11-19(13-21(20)32-24)27-23(30)17-7-9-18(25)10-8-17/h2-13,15H,14H2,1H3,(H,26,29)(H,27,30)