N-[(2-methyl-3-nitro-phenyl)carbamothioyl]octanamide

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]octanamide Openeye Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]octanamide CAS Name: N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-methyl-3-nitrophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]caprylamide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-3-4-5-6-7-11-15(20)18-16(23)17-13-9-8-10-14(12(13)2)19(21)22/h8-10H,3-7,11H2,1-2H3,(H2,17,18,20,23)