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

Systemtic Name: S-pentadecyl N-[4-(naphthalen-2-ylsulfonylcarbamoylamino)phenyl]carbamothioate Openeye Name: S-pentadecyl N-[4-(2-naphthylsulfonylcarbamoylamino)phenyl]carbamothioate CAS Name: N-[4-[[(2-naphthalenylsulfonylamino)-oxomethyl]amino]phenyl]carbamothioic acid S-pentadecyl ester IUPAC Name: S-pentadecyl N-[4-(naphthalen-2-ylsulfonylcarbamoylamino)phenyl]carbamothioate Traditional Name: N-[4-(2-naphthylsulfonylcarbamoylamino)phenyl]thiocarbamic acid S-pentadecyl ester Formula: C33H45N3O4S2 MolecularWeight: 611.8581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-41-33(38)35-30-22-20-29(21-23-30)34-32(37)36-42(39,40)31-24-19-27-17-14-15-18-28(27)26-31/h14-15,17-24,26H,2-13,16,25H2,1H3,(H,35,38)(H2,34,36,37)