2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-ethyl-amino]-N-ethyl-ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-ethyl-amino]-N-ethyl-ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioyl-ethyl-amino]-N-ethyl-acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-ethylamino]-N-ethylacetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioyl-ethylamino]-N-ethylacetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoyl-ethyl-amino]-N-ethyl-acetamide Formula: C13H17ClN4O3S MolecularWeight: 344.81708

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCNC(=O)CN(CC)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H17ClN4O3S/c1-3-15-12(19)8-17(4-2)13(22)16-11-7-9(18(20)21)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3,(H,15,19)(H,16,22)