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

Systemtic Name: methyl N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carboximidothioate Openeye Name: methyl N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-carbonyl)piperazine-1-carboximidothioate CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-4-[2-furanyl(oxo)methyl]-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl N-(2-cyano-4,5-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboximidothioate Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-4-(2-furoyl)piperazine-1-carboximidothioic acid methyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-26-17-11-14(13-21)15(12-18(17)27-2)22-20(29-3)24-8-6-23(7-9-24)19(25)16-5-4-10-28-16/h4-5,10-12H,6-9H2,1-3H3