(2Z)-4-methyl-3-oxidanylidene-2-[oxidanyl-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]heptanenitrile

Systemtic Name: (2Z)-4-methyl-3-oxidanylidene-2-[oxidanyl-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]heptanenitrile Openeye Name: (2Z)-2-[hydroxy-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]methylene]-4-methyl-3-oxo-heptanenitrile CAS Name: (2Z)-2-[hydroxy-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-4-methyl-3-oxoheptanenitrile IUPAC Name: (2Z)-2-[hydroxy-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methylidene]-4-methyl-3-oxoheptanenitrile Traditional Name: (Z)-3-hydroxy-3-[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)amino]-2-(2-methylpentanoyl)acrylonitrile Formula: C19H23N3O2S2 MolecularWeight: 389.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)C(=C(N(C1=CC2=C(C=C1)NC(=S)S2)C(C)C)O)C#N

Isomeric SMILES

CCCC(C)C(=O)/C(=C(/N(C1=CC2=C(C=C1)NC(=S)S2)C(C)C)\O)/C#N

InChI

InChI=1S/C19H23N3O2S2/c1-5-6-12(4)17(23)14(10-20)18(24)22(11(2)3)13-7-8-15-16(9-13)26-19(25)21-15/h7-9,11-12,24H,5-6H2,1-4H3,(H,21,25)/b18-14-