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

Systemtic Name: N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]acetamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S2/c1-3-29-21-11-10-20(32-4-2)16-22(21)34-25(29)26-23(30)17-33-18-24(31)28-14-12-27(13-15-28)19-8-6-5-7-9-19/h5-11,16H,3-4,12-15,17-18H2,1-2H3