2-[1-oxidanylidene-2-(3-phenylpropyl)-3,4-dihydro-1,4-thiazin-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-oxidanylidene-2-(3-phenylpropyl)-3,4-dihydro-1,4-thiazin-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-oxo-2-(3-phenylpropyl)-3,4-dihydro-1,4-thiazin-2-yl]isoindoline-1,3-dione CAS Name: 2-[1-oxo-2-(3-phenylpropyl)-3,4-dihydro-1,4-thiazin-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-oxo-2-(3-phenylpropyl)-3,4-dihydro-1,4-thiazin-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-keto-2-(3-phenylpropyl)-3,4-dihydro-1,4-thiazin-2-yl]isoindoline-1,3-quinone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1C(S(=O)C=CN1)(CCCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C(S(=O)C=CN1)(CCCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O3S/c24-19-17-10-4-5-11-18(17)20(25)23(19)21(15-22-13-14-27(21)26)12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,13-14,22H,6,9,12,15H2