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

Systemtic Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(6-methyl-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-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S2/c1-3-11-29-21-10-9-19(2)16-22(21)33-25(29)26-23(30)17-32-18-24(31)28-14-12-27(13-15-28)20-7-5-4-6-8-20/h1,4-10,16H,11-15,17-18H2,2H3