N-ethyl-4-[2-[[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-[2-[[1-(4-nitrophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-ethyl-4-[2-[[1-(4-nitrophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide CAS Name: N-ethyl-4-[2-[[1-(4-nitrophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methylamino]ethyl]-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-[2-[[1-(4-nitrophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-ethyl-4-[2-[[5-keto-1-(4-nitrophenyl)-3-propyl-2-pyrazolin-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide Formula: C22H31N7O3S MolecularWeight: 473.59164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N7O3S/c1-3-5-20-19(21(30)28(25-20)17-6-8-18(9-7-17)29(31)32)16-23-10-11-26-12-14-27(15-13-26)22(33)24-4-2/h6-9,16,23H,3-5,10-15H2,1-2H3,(H,24,33)