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

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioyl-ethyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioyl-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoyl-ethyl-amino]-N-isopropyl-acetamide Formula: C14H19ClN4O3S MolecularWeight: 358.84366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O3S/c1-4-18(8-13(20)16-9(2)3)14(23)17-12-7-10(19(21)22)5-6-11(12)15/h5-7,9H,4,8H2,1-3H3,(H,16,20)(H,17,23)