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

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]dodecanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)carbamothioyl]dodecanamide CAS Name: N-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]dodecanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)carbamothioyl]dodecanamide Traditional Name: N-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]lauramide Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O3S/c1-2-3-4-5-6-7-8-9-10-11-18(24)22-19(27)21-17-14-15(23(25)26)12-13-16(17)20/h12-14H,2-11H2,1H3,(H2,21,22,24,27)