methyl 2-[4-[[6-butyl-2-(methylcarbamothioylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[6-butyl-2-(methylcarbamothioylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-butyl-2-(methylcarbamothioylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-butyl-2-[[methylamino(sulfanylidene)methyl]amino]-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-butyl-2-(methylcarbamothioylamino)-4-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-butyl-4-keto-2-(methylthiocarbamoylamino)-1H-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)NC(=S)NC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)NC(=S)NC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H28N4O3S/c1-4-5-10-21-20(22(30)28-24(27-21)29-25(33)26-2)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(31)32-3/h6-9,11-14H,4-5,10,15H2,1-3H3,(H3,26,27,28,29,30,33)