2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(3-phenylsulfanylpropyl)isoindole-5-carboxamide

Systemtic Name: 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(3-phenylsulfanylpropyl)isoindole-5-carboxamide Openeye Name: 2-(o-tolyl)-1,3-dioxo-N-(3-phenylsulfanylpropyl)isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-1,3-dioxo-N-[3-(phenylthio)propyl]-5-isoindolecarboxamide IUPAC Name: 2-(2-methylphenyl)-1,3-dioxo-N-(3-phenylsulfanylpropyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(o-tolyl)-N-[3-(phenylthio)propyl]isoindoline-5-carboxamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-17-8-5-6-11-22(17)27-24(29)20-13-12-18(16-21(20)25(27)30)23(28)26-14-7-15-31-19-9-3-2-4-10-19/h2-6,8-13,16H,7,14-15H2,1H3,(H,26,28)