pentyl 2-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)ethanoate

Systemtic Name: pentyl 2-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)ethanoate Openeye Name: pentyl 2-(4-oxo-6-phenyl-2-thioxo-hexahydropyrimidin-5-yl)acetate CAS Name: 2-(4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)acetic acid pentyl ester IUPAC Name: pentyl 2-(4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)acetate Traditional Name: 2-(4-keto-6-phenyl-2-thioxo-hexahydropyrimidin-5-yl)acetic acid amyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)CC1C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O3S/c1-2-3-7-10-22-14(20)11-13-15(12-8-5-4-6-9-12)18-17(23)19-16(13)21/h4-6,8-9,13,15H,2-3,7,10-11H2,1H3,(H2,18,19,21,23)