3-[[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]carbothioylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]carbothioylamino]propyl-diethyl-azanium Openeye Name: 3-[[4-[4-(4-chlorophenyl)thiazol-2-yl]piperazine-1-carbothioyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-[4-(4-chlorophenyl)-2-thiazolyl]-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-[4-(4-chlorophenyl)thiazol-2-yl]piperazine-1-carbothioyl]amino]propyl-diethyl-ammonium Formula: C21H31ClN5S2+ MolecularWeight: 453.08734

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H30ClN5S2/c1-3-25(4-2)11-5-10-23-20(28)26-12-14-27(15-13-26)21-24-19(16-29-21)17-6-8-18(22)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3,(H,23,28)/p+1