4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C)C

InChI

InChI=1S/C22H27N5O2S/c1-4-27-16(3)17(13-23-27)14-25-7-9-26(10-8-25)22(30)24-18-5-6-19-15(2)11-21(28)29-20(19)12-18/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,24,30)