2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N,N-dimethyl-ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N,N-dimethyl-acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N,N-dimethylacetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N,N-dimethylacetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N,N-dimethyl-acetamide Formula: C11H13ClN4O3S MolecularWeight: 316.76392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN4O3S/c1-15(2)10(17)6-13-11(20)14-9-5-7(16(18)19)3-4-8(9)12/h3-5H,6H2,1-2H3,(H2,13,14,20)