N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-keto-4-[4-(4-nitrophenyl)piperazino]butyramide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4S/c1-2-16-20-21-18(29-16)19-15(25)7-8-17(26)23-11-9-22(10-12-23)13-3-5-14(6-4-13)24(27)28/h3-6H,2,7-12H2,1H3,(H,19,21,25)