N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C25H25ClN4O5S MolecularWeight: 529.0078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl)OC

InChI

InChI=1S/C25H25ClN4O5S/c1-33-17-6-7-18(22(15-17)34-2)23(31)28-25(36)27-16-5-8-20(19(26)14-16)29-9-11-30(12-10-29)24(32)21-4-3-13-35-21/h3-8,13-15H,9-12H2,1-2H3,(H2,27,28,31,36)