(3S)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-2-(phenylmethyl)-3H-isoindol-1-one

Systemtic Name: (3S)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-2-(phenylmethyl)-3H-isoindol-1-one Openeye Name: (3S)-2-benzyl-3-(2-morpholino-2-oxo-ethyl)sulfanyl-isoindolin-1-one CAS Name: (3S)-3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-2-(phenylmethyl)-3H-isoindol-1-one IUPAC Name: (3S)-2-benzyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3H-isoindol-1-one Traditional Name: (3S)-2-benzyl-3-[(2-keto-2-morpholino-ethyl)thio]isoindolin-1-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CS[C@H]2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S/c24-19(22-10-12-26-13-11-22)15-27-21-18-9-5-4-8-17(18)20(25)23(21)14-16-6-2-1-3-7-16/h1-9,21H,10-15H2/t21-/m0/s1