(5S)-1-butyl-5-[(1S)-3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-butyl-5-[(1S)-3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-[(1S)-2-benzyl-3-oxo-isoindolin-1-yl]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-butyl-5-[(1S)-3-oxo-2-(phenylmethyl)-1H-isoindol-1-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-[(1S)-2-benzyl-3-oxo-1H-isoindol-1-yl]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-[(1S)-2-benzyl-3-keto-isoindolin-1-yl]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=S)C2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=S)[C@H]2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-2-3-13-25-22(29)18(20(27)24-23(25)30)19-16-11-7-8-12-17(16)21(28)26(19)14-15-9-5-4-6-10-15/h4-12,18-19H,2-3,13-14H2,1H3,(H,24,27,30)/t18-,19+/m0/s1