methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-26-16-11-13(19(25)28-3)14(12-17(16)27-2)21-20(30)23-8-6-22(7-9-23)18(24)15-5-4-10-29-15/h4-5,10-12H,6-9H2,1-3H3,(H,21,30)