3-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(S)-(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H25ClN5S+ MolecularWeight: 366.9319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=C(C=C2)Cl)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H24ClN5S/c1-22(2)11-4-9-20-17(24)21-15(16-19-10-12-23(16)3)13-5-7-14(18)8-6-13/h5-8,10,12,15H,4,9,11H2,1-3H3,(H2,20,21,24)/p+1/t15-/m0/s1