3-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C21H29FN3S+ MolecularWeight: 374.538463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)F)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C21H28FN3S/c1-4-16-9-11-17(12-10-16)20(18-7-5-8-19(22)15-18)24-21(26)23-13-6-14-25(2)3/h5,7-12,15,20H,4,6,13-14H2,1-3H3,(H2,23,24,26)/p+1/t20-/m1/s1