N-[5-[3-(4-cyano-3-methoxy-phenyl)-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[5-[3-(4-cyano-3-methoxy-phenyl)-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[5-[3-(4-cyano-3-methoxy-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[5-[3-(4-cyano-3-methoxyphenyl)-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[5-[3-(4-cyano-3-methoxyphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[5-[3-(4-cyano-3-methoxy-phenyl)-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]-1,3-benzothiazol-2-yl]acetamide Formula: C22H19N5O3S2 MolecularWeight: 465.54796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=CC(=C2)N3C(=S)N(C(=O)C3(C)C)C4=CC(=C(C=C4)C#N)OC

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=CC(=C2)N3C(=S)N(C(=O)C3(C)C)C4=CC(=C(C=C4)C#N)OC

InChI

InChI=1S/C22H19N5O3S2/c1-12(28)24-20-25-16-9-15(7-8-18(16)32-20)27-21(31)26(19(29)22(27,2)3)14-6-5-13(11-23)17(10-14)30-4/h5-10H,1-4H3,(H,24,25,28)