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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C21H25N4S2+ MolecularWeight: 397.58

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4S2/c26-21(22-11-10-17-6-2-1-3-7-17)25-14-12-24(13-15-25)16-20-23-18-8-4-5-9-19(18)27-20/h1-9H,10-16H2,(H,22,26)/p+1