4-pyrimidin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-pyrimidin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-pyrimidin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-pyrimidinyl)-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-pyrimidin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-pyrimidyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C18H23N5S MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H23N5S/c1-13-11-15(3)16(12-14(13)2)21-18(24)23-9-7-22(8-10-23)17-19-5-4-6-20-17/h4-6,11-12H,7-10H2,1-3H3,(H,21,24)