(2Z)-3-oxidanylidene-2-[oxidanyl-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-5-phenyl-pentanenitrile

Systemtic Name: (2Z)-3-oxidanylidene-2-[oxidanyl-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-5-phenyl-pentanenitrile Openeye Name: (2Z)-2-[hydroxy-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]methylene]-3-oxo-5-phenyl-pentanenitrile CAS Name: (2Z)-2-[hydroxy-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-3-oxo-5-phenylpentanenitrile IUPAC Name: (2Z)-2-[hydroxy-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-3-oxo-5-phenylpentanenitrile Traditional Name: (Z)-2-hydrocinnamoyl-3-hydroxy-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]acrylonitrile Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=C(C#N)C(=O)CCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)/C(=C(\C#N)/C(=O)CCC3=CC=CC=C3)/O

InChI

InChI=1S/C22H21N3O2S2/c1-14(2)25(16-9-10-18-20(12-16)29-22(28)24-18)21(27)17(13-23)19(26)11-8-15-6-4-3-5-7-15/h3-7,9-10,12,14,27H,8,11H2,1-2H3,(H,24,28)/b21-17-