N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[3-chloro-4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C25H25ClN4O3S MolecularWeight: 497.009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl)C

InChI

InChI=1S/C25H25ClN4O3S/c1-16-12-17(2)14-18(13-16)23(31)28-25(34)27-19-5-6-21(20(26)15-19)29-7-9-30(10-8-29)24(32)22-4-3-11-33-22/h3-6,11-15H,7-10H2,1-2H3,(H2,27,28,31,34)