2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-propan-2-yl-ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N-isopropyl-acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N-propan-2-ylacetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N-propan-2-ylacetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N-isopropyl-acetamide Formula: C12H15ClN4O3S MolecularWeight: 330.7905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O3S/c1-7(2)15-11(18)6-14-12(21)16-10-5-8(17(19)20)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,15,18)(H2,14,16,21)