4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C18H24N6O3S/c1-13-14(11-21(2)20-13)12-22-6-8-23(9-7-22)18(28)19-16-5-4-15(24(25)26)10-17(16)27-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,19,28)