N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-ethanamide

Systemtic Name: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-ethanamide Openeye Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-acetamide CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfonylacetamide IUPAC Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylacetamide Traditional Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-keto-2-(4-phenylpiperazino)ethyl]sulfonyl-acetamide Formula: C25H29BrN4O5S2 MolecularWeight: 609.55556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29BrN4O5S2/c1-2-35-15-14-30-21-9-8-19(26)16-22(21)36-25(30)27-23(31)17-37(33,34)18-24(32)29-12-10-28(11-13-29)20-6-4-3-5-7-20/h3-9,16H,2,10-15,17-18H2,1H3