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

Systemtic Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(isopropylamino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(propan-2-ylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isopropylamino)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C16H24N5S2+ MolecularWeight: 350.52526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H23N5S2/c1-13(2)17-15-18-21(16(22)23-15)12-19-8-10-20(11-9-19)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,18)/p+1