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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-yl-piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-pyrazinyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-pyrazin-2-yl-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=CN=C3)OC

Isomeric SMILES

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

InChI

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