2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(2,4-dimethylphenyl)amino]ethenyl]sulfanyl-N-cyclohexyl-N-methyl-ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(2,4-dimethylphenyl)amino]ethenyl]sulfanyl-N-cyclohexyl-N-methyl-ethanamide Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(2,4-dimethylanilino)vinyl]sulfanyl-N-cyclohexyl-N-methyl-acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(2,4-dimethylanilino)ethenyl]thio]-N-cyclohexyl-N-methylacetamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(2,4-dimethylanilino)ethenyl]sulfanyl-N-cyclohexyl-N-methylacetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyano-1-(2,4-dimethylanilino)vinyl]thio]-N-cyclohexyl-N-methyl-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)N(C)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=C(C#N)C2=NC3=CC=CC=C3S2)SCC(=O)N(C)C4CCCCC4)C

InChI

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