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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Formula: C19H29N5OS2+2 MolecularWeight: 407.59646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCC[NH+]4CCOCC4

InChI

InChI=1S/C19H27N5OS2/c26-19(20-5-6-22-11-13-25-14-12-22)24-9-7-23(8-10-24)15-18-21-16-3-1-2-4-17(16)27-18/h1-4H,5-15H2,(H,20,26)/p+2