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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C18H21N4OS2+ MolecularWeight: 373.51554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C18H20N4OS2/c24-18(19-12-14-4-3-11-23-14)22-9-7-21(8-10-22)13-17-20-15-5-1-2-6-16(15)25-17/h1-6,11H,7-10,12-13H2,(H,19,24)/p+1