N-[4-[(2S)-butan-2-yl]phenyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: 3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]propanamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: 3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]propionamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=S)NC2=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CCC2=C(NC(=S)NC2=O)C

InChI

InChI=1S/C18H23N3O2S/c1-4-11(2)13-5-7-14(8-6-13)20-16(22)10-9-15-12(3)19-18(24)21-17(15)23/h5-8,11H,4,9-10H2,1-3H3,(H,20,22)(H2,19,21,23,24)/t11-/m0/s1