N-cyclopropyl-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(3-fluoro-4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H24FN4OS+ MolecularWeight: 351.462063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3)F

InChI

InChI=1S/C17H23FN4OS/c1-12-2-3-14(10-15(12)18)20-17(24)22-8-6-21(7-9-22)11-16(23)19-13-4-5-13/h2-3,10,13H,4-9,11H2,1H3,(H,19,23)(H,20,24)/p+1