N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-25-16-5-4-15(14-17(16)26-2)6-9-22-19(27)24-12-10-23(11-13-24)18-20-7-3-8-21-18/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,22,27)