N-[(2-methyl-5-nitro-phenyl)carbamothioyl]dodecanamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]dodecanamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]dodecanamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]dodecanamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]dodecanamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]lauramide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C20H31N3O3S/c1-3-4-5-6-7-8-9-10-11-12-19(24)22-20(27)21-18-15-17(23(25)26)14-13-16(18)2/h13-15H,3-12H2,1-2H3,(H2,21,22,24,27)