N-[3-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl]propanamide

Systemtic Name: N-[3-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl]propanamide Openeye Name: N-[3-[[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide CAS Name: N-[3-[[1-oxo-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]ethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide Traditional Name: N-[3-[[2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]phenyl]propionamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-2-18(26)22-15-9-6-10-16(11-15)23-20(28)13-29-21-24-17(12-19(27)25-21)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3,(H,22,26)(H,23,28)(H,24,25,27)