N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]cyclobutanecarboxamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]cyclobutanecarboxamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]cyclobutanecarboxamide Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2CCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2CCC2

InChI

InChI=1S/C13H15N3O4S/c1-20-11-6-5-9(16(18)19)7-10(11)14-13(21)15-12(17)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,14,15,17,21)