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

Systemtic Name: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-ethanamide Openeye Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-acetamide CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfonylacetamide IUPAC Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylacetamide Traditional Name: N-(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[2-keto-2-(4-phenylpiperazino)ethyl]sulfonyl-acetamide Formula: C24H23ClN4O4S2 MolecularWeight: 531.04682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H23ClN4O4S2/c1-2-10-29-20-9-8-18(25)15-21(20)34-24(29)26-22(30)16-35(32,33)17-23(31)28-13-11-27(12-14-28)19-6-4-3-5-7-19/h1,3-9,15H,10-14,16-17H2