3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-thione Formula: C16H24N5O2S3+ MolecularWeight: 414.58906

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H23N5O2S3/c1-2-8-17-15-18-21(16(24)25-15)13-19-9-11-20(12-10-19)26(22,23)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,17,18)/p+1