5-(3-ethoxypropylamino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(3-ethoxypropylamino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-ethoxypropylamino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-ethoxypropylamino)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-ethoxypropylamino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-ethoxypropylamino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C18H28N5OS2+ MolecularWeight: 394.57782

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H27N5OS2/c1-2-24-14-6-9-19-17-20-23(18(25)26-17)15-21-10-12-22(13-11-21)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3,(H,19,20)/p+1