N-(3-carbamothioylphenyl)-3-(2-oxidanylidenepyrimidin-1-yl)propanamide

Systemtic Name: N-(3-carbamothioylphenyl)-3-(2-oxidanylidenepyrimidin-1-yl)propanamide Openeye Name: N-(3-carbamothioylphenyl)-3-(2-oxopyrimidin-1-yl)propanamide CAS Name: N-(3-carbamothioylphenyl)-3-(2-oxo-1-pyrimidinyl)propanamide IUPAC Name: N-(3-carbamothioylphenyl)-3-(2-oxopyrimidin-1-yl)propanamide Traditional Name: 3-(2-ketopyrimidin-1-yl)-N-(3-thiocarbamoylphenyl)propionamide Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=CC=NC2=O)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=CC=NC2=O)C(=S)N

InChI

InChI=1S/C14H14N4O2S/c15-13(21)10-3-1-4-11(9-10)17-12(19)5-8-18-7-2-6-16-14(18)20/h1-4,6-7,9H,5,8H2,(H2,15,21)(H,17,19)