[4-[2-[3-[(4-phenoxyphenyl)carbamothioylamino]propanoylamino]ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-[3-[(4-phenoxyphenyl)carbamothioylamino]propanoylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-[3-[(4-phenoxyphenyl)carbamothioylamino]propanoylamino]ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[1-oxo-3-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]propyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[3-[(4-phenoxyphenyl)carbamothioylamino]propanoylamino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[3-[(4-phenoxyphenyl)thiocarbamoylamino]propanoylamino]ethyl]phenyl] ester Formula: C24H26N4O5S2 MolecularWeight: 514.61704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCC(=O)NCCC3=CC=C(C=C3)OS(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCC(=O)NCCC3=CC=C(C=C3)OS(=O)(=O)N

InChI

InChI=1S/C24H26N4O5S2/c25-35(30,31)33-22-10-6-18(7-11-22)14-16-26-23(29)15-17-27-24(34)28-19-8-12-21(13-9-19)32-20-4-2-1-3-5-20/h1-13H,14-17H2,(H,26,29)(H2,25,30,31)(H2,27,28,34)