2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(4-methylphenyl)amino]ethenyl]sulfanyl-N-cyclooctyl-ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(4-methylphenyl)amino]ethenyl]sulfanyl-N-cyclooctyl-ethanamide Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(4-methylanilino)vinyl]sulfanyl-N-cyclooctyl-acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(4-methylanilino)ethenyl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(4-methylanilino)ethenyl]sulfanyl-N-cyclooctylacetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(p-toluidino)vinyl]thio]-N-cyclooctyl-acetamide Formula: C27H30N4OS2 MolecularWeight: 490.6833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H30N4OS2/c1-19-13-15-21(16-14-19)30-26(22(17-28)27-31-23-11-7-8-12-24(23)34-27)33-18-25(32)29-20-9-5-3-2-4-6-10-20/h7-8,11-16,20,30H,2-6,9-10,18H2,1H3,(H,29,32)