N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]hexanamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]hexanamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]hexanamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]hexanamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]hexanamide Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H18ClN3O3S/c1-3-4-5-6-13(19)17-14(22)16-11-8-10(15)12(18(20)21)7-9(11)2/h7-8H,3-6H2,1-2H3,(H2,16,17,19,22)