N-(2-methylphenyl)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl-propyl-amino]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl-propyl-amino]ethanamide Openeye Name: N-(o-tolyl)-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-propyl-amino]acetamide CAS Name: N-(2-methylphenyl)-2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-propylamino]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-propylamino]acetamide Traditional Name: 2-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC)CC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC)CC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C21H28N4O3S/c1-4-8-16-12-18(26)24-21(22-16)29-14-20(28)25(11-5-2)13-19(27)23-17-10-7-6-9-15(17)3/h6-7,9-10,12H,4-5,8,11,13-14H2,1-3H3,(H,23,27)(H,22,24,26)