N-methyl-2-[[5-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-methyl-2-[[5-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-methyl-2-[[5-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: N-methyl-2-[[5-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-methyl-2-[[5-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-methyl-2-[[5-[4-(2-methyl-3-nitro-benzoyl)piperazino]-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C17H20N6O4S2 MolecularWeight: 436.5085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC

InChI

InChI=1S/C17H20N6O4S2/c1-11-12(4-3-5-13(11)23(26)27)15(25)21-6-8-22(9-7-21)16-19-20-17(29-16)28-10-14(24)18-2/h3-5H,6-10H2,1-2H3,(H,18,24)