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

Systemtic Name: S-hexadecyl N-[4-(naphthalen-2-ylsulfonylcarbamoylamino)phenyl]carbamothioate Openeye Name: S-hexadecyl N-[4-(2-naphthylsulfonylcarbamoylamino)phenyl]carbamothioate CAS Name: N-[4-[[(2-naphthalenylsulfonylamino)-oxomethyl]amino]phenyl]carbamothioic acid S-hexadecyl ester IUPAC Name: S-hexadecyl N-[4-(naphthalen-2-ylsulfonylcarbamoylamino)phenyl]carbamothioate Traditional Name: N-[4-(2-naphthylsulfonylcarbamoylamino)phenyl]thiocarbamic acid S-cetyl ester Formula: C34H47N3O4S2 MolecularWeight: 625.88468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H47N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-42-34(39)36-31-23-21-30(22-24-31)35-33(38)37-43(40,41)32-25-20-28-18-15-16-19-29(28)27-32/h15-16,18-25,27H,2-14,17,26H2,1H3,(H,36,39)(H2,35,37,38)