N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H23N6O3S2+ MolecularWeight: 435.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CC1)C2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C1CC1)C2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3S2/c1-13(25)23(15-4-5-15)17-19-22(18(28)29-17)12-20-8-10-21(11-9-20)14-2-6-16(7-3-14)24(26)27/h2-3,6-7,15H,4-5,8-12H2,1H3/p+1