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

Systemtic Name: 2-bromanyl-N-[2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H20BrN3O3S2 MolecularWeight: 506.4358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H20BrN3O3S2/c22-16-6-2-1-5-15(16)20(27)24-13-7-8-17-18(10-13)30-21(25-17)29-12-19(26)23-11-14-4-3-9-28-14/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,26)(H,24,27)