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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C24H28BrN3O4S2 MolecularWeight: 566.53082

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28BrN3O4S2/c1-2-32-16-15-28-21-12-9-19(25)17-22(21)33-24(28)26-23(29)18-7-10-20(11-8-18)34(30,31)27-13-5-3-4-6-14-27/h7-12,17H,2-6,13-16H2,1H3