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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C15H21N4S2+ MolecularWeight: 321.48404

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H20N4S2/c1-2-16-15(20)19-9-7-18(8-10-19)11-14-17-12-5-3-4-6-13(12)21-14/h3-6H,2,7-11H2,1H3,(H,16,20)/p+1