[4-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[5-(propylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[5-(propylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C15H22N5OS3+ MolecularWeight: 384.56308

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C15H21N5OS3/c1-2-5-16-14-17-20(15(22)24-14)11-18-6-8-19(9-7-18)13(21)12-4-3-10-23-12/h3-4,10H,2,5-9,11H2,1H3,(H,16,17)/p+1