S-octadecyl N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]carbamothioate

Systemtic Name: S-octadecyl N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]carbamothioate Openeye Name: S-octadecyl N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]carbamothioate CAS Name: N-[4-[[[(4-methoxyphenyl)sulfonylamino]-oxomethyl]amino]phenyl]carbamothioic acid S-octadecyl ester IUPAC Name: S-octadecyl N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]carbamothioate Traditional Name: N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]thiocarbamic acid S-stearyl ester Formula: C33H51N3O5S2 MolecularWeight: 633.90514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=O)NC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(=O)NC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C33H51N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-42-33(38)35-29-21-19-28(20-22-29)34-32(37)36-43(39,40)31-25-23-30(41-2)24-26-31/h19-26H,3-18,27H2,1-2H3,(H,35,38)(H2,34,36,37)