diethyl-[2-[4-[3-(phenylcarbamothioylimino)-1H-isoindol-2-yl]phenyl]carbonyloxyethyl]azanium

Systemtic Name: diethyl-[2-[4-[3-(phenylcarbamothioylimino)-1H-isoindol-2-yl]phenyl]carbonyloxyethyl]azanium Openeye Name: diethyl-[2-[4-[1-(phenylcarbamothioylimino)isoindolin-2-yl]benzoyl]oxyethyl]ammonium CAS Name: 2-[[4-[3-[anilino(sulfanylidene)methyl]imino-1H-isoindol-2-yl]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: diethyl-[2-[4-[3-(phenylcarbamothioylimino)-1H-isoindol-2-yl]benzoyl]oxyethyl]azanium Traditional Name: diethyl-[2-[4-[1-(phenylthiocarbamoylimino)isoindolin-2-yl]benzoyl]oxyethyl]ammonium Formula: C28H31N4O2S+ MolecularWeight: 487.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2S/c1-3-31(4-2)18-19-34-27(33)21-14-16-24(17-15-21)32-20-22-10-8-9-13-25(22)26(32)30-28(35)29-23-11-6-5-7-12-23/h5-17H,3-4,18-20H2,1-2H3,(H,29,35)/p+1