diethyl-[(2S)-2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(2S)-2-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]azanium Openeye Name: diethyl-[(2S)-2-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]ammonium CAS Name: diethyl-[(2S)-2-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]ammonium IUPAC Name: diethyl-[(2S)-2-[(3-fluoro-4-methylphenyl)carbamothioylamino]-2-phenylethyl]azanium Traditional Name: diethyl-[(2S)-2-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]-2-phenyl-ethyl]ammonium Formula: C20H27FN3S+ MolecularWeight: 360.511883

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C1=CC=CC=C1)NC(=S)NC2=CC(=C(C=C2)C)F

Isomeric SMILES

CC[NH+](CC)C[C@H](C1=CC=CC=C1)NC(=S)NC2=CC(=C(C=C2)C)F

InChI

InChI=1S/C20H26FN3S/c1-4-24(5-2)14-19(16-9-7-6-8-10-16)23-20(25)22-17-12-11-15(3)18(21)13-17/h6-13,19H,4-5,14H2,1-3H3,(H2,22,23,25)/p+1/t19-/m1/s1