S-dodecyl N-(2-chloranyl-4-nitro-phenyl)carbamothioate

Systemtic Name: S-dodecyl N-(2-chloranyl-4-nitro-phenyl)carbamothioate Openeye Name: S-dodecyl N-(2-chloro-4-nitro-phenyl)carbamothioate CAS Name: N-(2-chloro-4-nitrophenyl)carbamothioic acid S-dodecyl ester IUPAC Name: S-dodecyl N-(2-chloro-4-nitrophenyl)carbamothioate Traditional Name: N-(2-chloro-4-nitro-phenyl)thiocarbamic acid S-lauryl ester Formula: C19H29ClN2O3S MolecularWeight: 400.96316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O3S/c1-2-3-4-5-6-7-8-9-10-11-14-26-19(23)21-18-13-12-16(22(24)25)15-17(18)20/h12-13,15H,2-11,14H2,1H3,(H,21,23)