(5S)-5-butoxy-N,N-dimethyl-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine

Systemtic Name: (5S)-5-butoxy-N,N-dimethyl-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine Openeye Name: (5S)-5-butoxy-N,N-dimethyl-5-thioxo-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine CAS Name: (5S)-5-butoxy-N,N-dimethyl-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphorin-2-amine IUPAC Name: (5S)-5-butoxy-N,N-dimethyl-5-sulfanylidene-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphinin-2-amine Traditional Name: [(5S)-5-butoxy-5-thioxo-11H-isoindolo[1,2-c][2,4,1]benzodiazaphosphorin-2-yl]-dimethyl-amine Formula: C20H24N3OPS MolecularWeight: 385.462821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP1(=S)C2=C(C=C(C=C2)N(C)C)N3CC4=CC=CC=C4C3=N1

Isomeric SMILES

CCCCO[P@]1(=S)C2=C(C=C(C=C2)N(C)C)N3CC4=CC=CC=C4C3=N1

InChI

InChI=1S/C20H24N3OPS/c1-4-5-12-24-25(26)19-11-10-16(22(2)3)13-18(19)23-14-15-8-6-7-9-17(15)20(23)21-25/h6-11,13H,4-5,12,14H2,1-3H3/t25-/m0/s1