propyl 3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OCCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OCCC

InChI

InChI=1S/C19H23N3O4S/c1-3-6-14-11-16(23)22-19(21-14)27-12-17(24)20-15-8-5-7-13(10-15)18(25)26-9-4-2/h5,7-8,10-11H,3-4,6,9,12H2,1-2H3,(H,20,24)(H,21,22,23)