3-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-[(2-chlorophenyl)methyl]thiazol-2-ylidene]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[3-(2-chlorobenzyl)-4-thiazolin-2-ylidene]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H22ClN4S2+ MolecularWeight: 369.95568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N=C1N(C=CS1)CC2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N=C1N(C=CS1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C16H21ClN4S2/c1-20(2)9-5-8-18-15(22)19-16-21(10-11-23-16)12-13-6-3-4-7-14(13)17/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,18,22)/p+1