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

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

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S2/c1-19-8-9-21-22(16-19)34-25(29(21)14-15-32-2)26-23(30)17-33-18-24(31)28-12-10-27(11-13-28)20-6-4-3-5-7-20/h3-9,16H,10-15,17-18H2,1-2H3