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

Systemtic Name: 5-(2-methylpropylamino)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(isobutylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(2-methylpropylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylpropylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(isobutylamino)-1,3,4-thiadiazole-2-thione Formula: C17H26N5O2S3+ MolecularWeight: 428.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H25N5O2S3/c1-14(2)12-18-16-19-22(17(25)26-16)13-20-8-10-21(11-9-20)27(23,24)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,18,19)/p+1