[5-(4-benzamido-2-oxidanylidene-1,3-diazinan-1-yl)-2-(thiocyanatomethyl)oxolan-3-yl] ethanoate

Systemtic Name: [5-(4-benzamido-2-oxidanylidene-1,3-diazinan-1-yl)-2-(thiocyanatomethyl)oxolan-3-yl] ethanoate Openeye Name: [5-(4-benzamido-2-oxo-hexahydropyrimidin-1-yl)-2-(thiocyanatomethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-(4-benzamido-2-oxo-1,3-diazinan-1-yl)-2-(thiocyanatomethyl)-3-oxolanyl] ester IUPAC Name: [5-(4-benzamido-2-oxo-1,3-diazinan-1-yl)-2-(thiocyanatomethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [5-(4-benzamido-2-keto-hexahydropyrimidin-1-yl)-2-(thiocyanatomethyl)tetrahydrofuran-3-yl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CSC#N)N2CCC(NC2=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1CC(OC1CSC#N)N2CCC(NC2=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5S/c1-12(24)27-14-9-17(28-15(14)10-29-11-20)23-8-7-16(22-19(23)26)21-18(25)13-5-3-2-4-6-13/h2-6,14-17H,7-10H2,1H3,(H,21,25)(H,22,26)