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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H25ClN4O4S MolecularWeight: 513.0084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C25H25ClN4O4S/c1-2-33-21-10-5-17(16-20(21)26)23(31)28-25(35)27-18-6-8-19(9-7-18)29-11-13-30(14-12-29)24(32)22-4-3-15-34-22/h3-10,15-16H,2,11-14H2,1H3,(H2,27,28,31,35)