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

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-N-(2-methoxyethyl)acetamide CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-N-(2-methoxyethyl)acetamide Formula: C12H15ClN4O4S MolecularWeight: 346.7899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O4S/c1-21-5-4-14-11(18)7-15-12(22)16-10-6-8(17(19)20)2-3-9(10)13/h2-3,6H,4-5,7H2,1H3,(H,14,18)(H2,15,16,22)