N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]cyclobutanecarboxamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]cyclobutanecarboxamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]cyclobutanecarboxamide Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN3O3S/c13-9-5-4-8(6-10(9)16(18)19)14-12(20)15-11(17)7-2-1-3-7/h4-7H,1-3H2,(H2,14,15,17,20)