4-pyrimidin-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-pyrimidin-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-pyrimidin-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-pyrimidinyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-pyrimidin-2-yl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-pyrimidyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O3S/c1-24-14-11-13(12-15(25-2)16(14)26-3)21-18(27)23-9-7-22(8-10-23)17-19-5-4-6-20-17/h4-6,11-12H,7-10H2,1-3H3,(H,21,27)