N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H19N5O2S/c1-13-11-17(25)26-16-12-14(3-4-15(13)16)22-19(27)24-9-7-23(8-10-24)18-20-5-2-6-21-18/h2-6,11-12H,7-10H2,1H3,(H,22,27)