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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[3-(methylthio)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C17H25N4S3+ MolecularWeight: 381.6022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4S3/c1-23-12-4-7-18-17(22)21-10-8-20(9-11-21)13-16-19-14-5-2-3-6-15(14)24-16/h2-3,5-6H,4,7-13H2,1H3,(H,18,22)/p+1