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

Systemtic Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-cyclopropyl-N-[4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: N-cyclopropyl-N-[4-[(4-nosylpiperazino)methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H22N6O5S3 MolecularWeight: 498.59948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CC1)C2=NN(C(=S)S2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C1CC1)C2=NN(C(=S)S2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O5S3/c1-13(25)23(14-2-3-14)17-19-22(18(30)31-17)12-20-8-10-21(11-9-20)32(28,29)16-6-4-15(5-7-16)24(26)27/h4-7,14H,2-3,8-12H2,1H3