S-hexadecyl N-(4-nitrophenyl)carbamothioate

Systemtic Name: S-hexadecyl N-(4-nitrophenyl)carbamothioate Openeye Name: S-hexadecyl N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid S-hexadecyl ester IUPAC Name: S-hexadecyl N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid S-cetyl ester Formula: C23H38N2O3S MolecularWeight: 422.62442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C23H38N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-23(26)24-21-16-18-22(19-17-21)25(27)28/h16-19H,2-15,20H2,1H3,(H,24,26)