N-(4-butylphenyl)-2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC

InChI

InChI=1S/C18H23N3O2S/c1-3-5-6-13-7-9-15(10-8-13)19-17(23)12-24-18-20-14(4-2)11-16(22)21-18/h7-11H,3-6,12H2,1-2H3,(H,19,23)(H,20,21,22)