N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N5O2S/c1-4-31-21-13-9-8-12-20(21)27-14-16-28(17-15-27)24(32)25-22-18(2)26(3)29(23(22)30)19-10-6-5-7-11-19/h5-13H,4,14-17H2,1-3H3,(H,25,32)