5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphanium

Systemtic Name: 5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphanium Openeye Name: 5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphonium CAS Name: 5-[(2-acetamido-3-methyl-3-nitroso-1-sulfanylidenebutyl)amino]pentyl-triphenylphosphonium IUPAC Name: 5-[(2-acetamido-3-methyl-3-nitrosobutanethioyl)amino]pentyl-triphenylphosphanium Traditional Name: 5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphonium Formula: C30H37N3O2PS+ MolecularWeight: 534.672441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=S)NCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)N=O

Isomeric SMILES

CC(=O)NC(C(=S)NCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)N=O

InChI

InChI=1S/C30H36N3O2PS/c1-24(34)32-28(30(2,3)33-35)29(37)31-22-14-7-15-23-36(25-16-8-4-9-17-25,26-18-10-5-11-19-26)27-20-12-6-13-21-27/h4-6,8-13,16-21,28H,7,14-15,22-23H2,1-3H3,(H-,31,32,34,37)/p+1