N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=C(N(N=C4C)C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=C(N(N=C4C)C)C

InChI

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