[4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]-pyrimidin-5-yl-carbamic acid

Systemtic Name: [4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3-phenyl-phenyl]-pyrimidin-5-yl-carbamic acid Openeye Name: [4-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]carbamoyl]-3-phenyl-phenyl]-pyrimidin-5-yl-carbamic acid CAS Name: [4-[[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-phenylphenyl]-(5-pyrimidinyl)carbamic acid IUPAC Name: [4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-3-phenylphenyl]-pyrimidin-5-ylcarbamic acid Traditional Name: [4-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-phenyl-phenyl]-(5-pyrimidyl)carbamic acid Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)N(C2=CN=CN=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)N(C2=CN=CN=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H24N4O5S/c1-33-23(30)21(10-11-34-2)27-22(29)19-9-8-17(12-20(19)16-6-4-3-5-7-16)28(24(31)32)18-13-25-15-26-14-18/h3-9,12-15,21H,10-11H2,1-2H3,(H,27,29)(H,31,32)/t21-/m0/s1