N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-[4-(2-fluorobenzyl)piperazino]phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C22H27FN4OS MolecularWeight: 414.539383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H27FN4OS/c1-16(2)21(28)25-22(29)24-18-7-9-19(10-8-18)27-13-11-26(12-14-27)15-17-5-3-4-6-20(17)23/h3-10,16H,11-15H2,1-2H3,(H2,24,25,28,29)