2-(1,3-benzothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-imidazolidin-1-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1-imidazolidinyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-keto-2-thioxo-5-veratrylidene-imidazolidin-1-yl)acrylonitrile Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N2C=C(C#N)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N2C=C(C#N)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H16N4O3S2/c1-28-17-8-7-13(10-18(17)29-2)9-16-20(27)25-22(30)26(16)12-14(11-23)21-24-15-5-3-4-6-19(15)31-21/h3-10,12H,1-2H3,(H,25,27,30)