N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]dodecanamide

Systemtic Name: N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]dodecanamide Openeye Name: N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]dodecanamide CAS Name: N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]dodecanamide IUPAC Name: N-[(2-methoxy-4-nitrophenyl)carbamothioyl]dodecanamide Traditional Name: N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]lauramide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-3-4-5-6-7-8-9-10-11-12-19(24)22-20(28)21-17-14-13-16(23(25)26)15-18(17)27-2/h13-15H,3-12H2,1-2H3,(H2,21,22,24,28)