S-octadecyl N-[4-(naphthalen-2-ylsulfonylcarbamoylamino)phenyl]carbamothioate

Systemtic Name: S-octadecyl N-[4-(naphthalen-2-ylsulfonylcarbamoylamino)phenyl]carbamothioate Openeye Name: S-octadecyl N-[4-(2-naphthylsulfonylcarbamoylamino)phenyl]carbamothioate CAS Name: N-[4-[[(2-naphthalenylsulfonylamino)-oxomethyl]amino]phenyl]carbamothioic acid S-octadecyl ester IUPAC Name: S-octadecyl N-[4-(naphthalen-2-ylsulfonylcarbamoylamino)phenyl]carbamothioate Traditional Name: N-[4-(2-naphthylsulfonylcarbamoylamino)phenyl]thiocarbamic acid S-stearyl ester Formula: C36H51N3O4S2 MolecularWeight: 653.93784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=O)NC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(=O)NC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C36H51N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-44-36(41)38-33-25-23-32(24-26-33)37-35(40)39-45(42,43)34-27-22-30-20-17-18-21-31(30)29-34/h17-18,20-27,29H,2-16,19,28H2,1H3,(H,38,41)(H2,37,39,40)