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

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-ethanamide Openeye Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-acetamide CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfonylacetamide IUPAC Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylacetamide Traditional Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-keto-2-(4-phenylpiperazino)ethyl]sulfonyl-acetamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S2/c1-17-8-9-19-20(14-17)32-23(25(19)2)24-21(28)15-33(30,31)16-22(29)27-12-10-26(11-13-27)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3