4-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H24BrN3O3S2 MolecularWeight: 522.47826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24BrN3O3S2/c1-2-26-20-18(23)8-7-9-19(20)30-22(26)24-21(27)16-10-12-17(13-11-16)31(28,29)25-14-5-3-4-6-15-25/h7-13H,2-6,14-15H2,1H3