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

Systemtic Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-ethanamide Openeye Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-acetamide CAS Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfonylacetamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylacetamide Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]sulfonyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]acetamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4)S2)CCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4)S2)CCOC

InChI

InChI=1S/C25H30N4O5S2/c1-19-8-9-21-22(16-19)35-25(29(21)14-15-34-2)26-23(30)17-36(32,33)18-24(31)28-12-10-27(11-13-28)20-6-4-3-5-7-20/h3-9,16H,10-15,17-18H2,1-2H3