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

Systemtic Name: N-(diphenylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-benzhydryl-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(diphenylmethyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-benzhydryl-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-benzhydryl-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5S/c28-22(27-16-14-26(15-17-27)21-23-12-7-13-24-21)25-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20H,14-17H2,(H,25,28)