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

Systemtic Name: N-[[3-chloranyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[3-chloro-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[3-chloro-4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3)Cl

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CO3)Cl

InChI

InChI=1S/C20H23ClN4O3S/c1-13(2)18(26)23-20(29)22-14-5-6-16(15(21)12-14)24-7-9-25(10-8-24)19(27)17-4-3-11-28-17/h3-6,11-13H,7-10H2,1-2H3,(H2,22,23,26,29)