4-(azepan-1-ylsulfonyl)-N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C23H26BrN3O4S2 MolecularWeight: 552.50424

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26BrN3O4S2/c1-31-15-14-27-20-11-8-18(24)16-21(20)32-23(27)25-22(28)17-6-9-19(10-7-17)33(29,30)26-12-4-2-3-5-13-26/h6-11,16H,2-5,12-15H2,1H3