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

Systemtic Name: N-methyl-2-[[5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-methyl-2-[[5-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: N-methyl-2-[[5-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-methyl-2-[[5-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-methyl-2-[[5-[4-(4-nitrobenzoyl)piperazino]-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C16H18N6O4S2 MolecularWeight: 422.48192

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4S2/c1-17-13(23)10-27-16-19-18-15(28-16)21-8-6-20(7-9-21)14(24)11-2-4-12(5-3-11)22(25)26/h2-5H,6-10H2,1H3,(H,17,23)