S-octadecyl N-(4-nitrophenyl)carbamothioate

Systemtic Name: S-octadecyl N-(4-nitrophenyl)carbamothioate Openeye Name: S-octadecyl N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid S-octadecyl ester IUPAC Name: S-octadecyl N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid S-stearyl ester Formula: C25H42N2O3S MolecularWeight: 450.67758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-25(28)26-23-18-20-24(21-19-23)27(29)30/h18-21H,2-17,22H2,1H3,(H,26,28)