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

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H26N4O3S2/c1-3-11-29-21-10-9-20(32-2)16-22(21)34-25(29)26-23(30)17-33-18-24(31)28-14-12-27(13-15-28)19-7-5-4-6-8-19/h1,4-10,16H,11-15,17-18H2,2H3