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

Systemtic Name: S-hexadecyl N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]carbamothioate Openeye Name: S-hexadecyl N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]carbamothioate CAS Name: N-[4-[[[(4-methoxyphenyl)sulfonylamino]-oxomethyl]amino]phenyl]carbamothioic acid S-hexadecyl ester IUPAC Name: S-hexadecyl N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]carbamothioate Traditional Name: N-[4-[(4-methoxyphenyl)sulfonylcarbamoylamino]phenyl]thiocarbamic acid S-cetyl ester Formula: C31H47N3O5S2 MolecularWeight: 605.85198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-40-31(36)33-27-19-17-26(18-20-27)32-30(35)34-41(37,38)29-23-21-28(39-2)22-24-29/h17-24H,3-16,25H2,1-2H3,(H,33,36)(H2,32,34,35)