S-dodecyl N-(2-methyl-5-nitro-phenyl)carbamothioate

Systemtic Name: S-dodecyl N-(2-methyl-5-nitro-phenyl)carbamothioate Openeye Name: S-dodecyl N-(2-methyl-5-nitro-phenyl)carbamothioate CAS Name: N-(2-methyl-5-nitrophenyl)carbamothioic acid S-dodecyl ester IUPAC Name: S-dodecyl N-(2-methyl-5-nitrophenyl)carbamothioate Traditional Name: N-(2-methyl-5-nitro-phenyl)thiocarbamic acid S-lauryl ester Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3S/c1-3-4-5-6-7-8-9-10-11-12-15-26-20(23)21-19-16-18(22(24)25)14-13-17(19)2/h13-14,16H,3-12,15H2,1-2H3,(H,21,23)