N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-4-(2-furoyl)piperazine-1-carbothioamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC

InChI

InChI=1S/C19H20N4O4S/c1-25-16-10-13(12-20)14(11-17(16)26-2)21-19(28)23-7-5-22(6-8-23)18(24)15-4-3-9-27-15/h3-4,9-11H,5-8H2,1-2H3,(H,21,28)