ethyl 4-[[1-(2-methyl-6-propyl-pyrimidin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-(2-methyl-6-propyl-pyrimidin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-(2-methyl-6-propyl-pyrimidin-4-yl)-4-piperidyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-(2-methyl-6-propyl-4-pyrimidinyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-(2-methyl-6-propyl-pyrimidin-4-yl)-4-piperidyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H31N5O2S MolecularWeight: 441.58954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)C)N2CCC(CC2)NC(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=NC(=N1)C)N2CCC(CC2)NC(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H31N5O2S/c1-4-6-20-15-21(25-16(3)24-20)28-13-11-19(12-14-28)27-23(31)26-18-9-7-17(8-10-18)22(29)30-5-2/h7-10,15,19H,4-6,11-14H2,1-3H3,(H2,26,27,31)