N-[(3,4-dichlorophenyl)methyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H17Cl2N5S MolecularWeight: 382.31068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N5S/c17-13-3-2-12(10-14(13)18)11-21-16(24)23-8-6-22(7-9-23)15-19-4-1-5-20-15/h1-5,10H,6-9,11H2,(H,21,24)