4-(1,3-benzothiazol-2-ylmethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C19H20FN4S2+ MolecularWeight: 387.517303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN4S2/c20-14-5-7-15(8-6-14)21-19(25)24-11-9-23(10-12-24)13-18-22-16-3-1-2-4-17(16)26-18/h1-8H,9-13H2,(H,21,25)/p+1