N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-[4-(2-fluorobenzyl)piperazino]phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C23H29FN4OS MolecularWeight: 428.565963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN4OS/c1-17(2)15-22(29)26-23(30)25-19-7-9-20(10-8-19)28-13-11-27(12-14-28)16-18-5-3-4-6-21(18)24/h3-10,17H,11-16H2,1-2H3,(H2,25,26,29,30)