4-[2,6-bis(dimethylamino)pyrimidin-4-yl]carbonyl-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[2,6-bis(dimethylamino)pyrimidin-4-yl]carbonyl-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[[2,6-bis(dimethylamino)-4-pyrimidinyl]-oxomethyl]-N-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[2,6-bis(dimethylamino)pyrimidine-4-carbonyl]-N-(4-chlorobenzyl)piperazine-1-carbothioamide Formula: C21H28ClN7OS MolecularWeight: 462.01132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)C(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl)N(C)C

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)C(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)Cl)N(C)C

InChI

InChI=1S/C21H28ClN7OS/c1-26(2)18-13-17(24-20(25-18)27(3)4)19(30)28-9-11-29(12-10-28)21(31)23-14-15-5-7-16(22)8-6-15/h5-8,13H,9-12,14H2,1-4H3,(H,23,31)