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

Systemtic Name: N-(4-phenylazanylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6S/c28-21(27-15-13-26(14-16-27)20-22-11-4-12-23-20)25-19-9-7-18(8-10-19)24-17-5-2-1-3-6-17/h1-12,24H,13-16H2,(H,25,28)