2-[(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C23H22N3O3S- MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)[O-]

InChI

InChI=1S/C23H23N3O3S/c1-3-8-18-14-20(28)26-23(25-18)30-21(16-9-5-4-6-10-16)22(29)24-19-12-7-11-17(13-19)15(2)27/h4-7,9-14,21H,3,8H2,1-2H3,(H,24,29)(H,25,26,28)/p-1/t21-/m0/s1