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

Systemtic Name: N-(2-phenylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-phenylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-phenylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-phenylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-phenylphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5S/c27-21(26-15-13-25(14-16-26)20-22-11-6-12-23-20)24-19-10-5-4-9-18(19)17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,27)