N-(4-methoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-methoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-methoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-methoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-methoxyphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H19N5OS/c1-22-14-5-3-13(4-6-14)19-16(23)21-11-9-20(10-12-21)15-17-7-2-8-18-15/h2-8H,9-12H2,1H3,(H,19,23)