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

Systemtic Name: N-(4-phenoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-phenoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-phenoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-phenoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-phenoxyphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c28-21(26-15-13-25(14-16-26)20-22-11-4-12-23-20)24-17-7-9-19(10-8-17)27-18-5-2-1-3-6-18/h1-12H,13-16H2,(H,24,28)