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

Systemtic Name: diethyl-[3-[[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]carbothioylamino]propyl]azanium Openeye Name: diethyl-[3-[[4-(4-phenylthiazol-2-yl)piperazine-1-carbothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[4-(4-phenylthiazol-2-yl)piperazine-1-carbothioyl]amino]propyl]ammonium Formula: C21H32N5S2+ MolecularWeight: 418.64228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5S2/c1-3-24(4-2)12-8-11-22-20(27)25-13-15-26(16-14-25)21-23-19(17-28-21)18-9-6-5-7-10-18/h5-7,9-10,17H,3-4,8,11-16H2,1-2H3,(H,22,27)/p+1