ethyl 4-[[4-(2-methyl-6-propyl-pyrimidin-4-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-methyl-6-propyl-pyrimidin-4-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-methyl-6-propyl-pyrimidin-4-yl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-methyl-6-propyl-4-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-methyl-6-propylpyrimidin-4-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-methyl-6-propyl-pyrimidin-4-yl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=NC(=N1)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H29N5O2S/c1-4-6-19-15-20(24-16(3)23-19)26-11-13-27(14-12-26)22(30)25-18-9-7-17(8-10-18)21(28)29-5-2/h7-10,15H,4-6,11-14H2,1-3H3,(H,25,30)