N-[(4-pentylphenyl)carbamothioyl]-1,2-oxazole-5-carboxamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]-1,2-oxazole-5-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]isoxazole-5-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-5-isoxazolecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]-1,2-oxazole-5-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]isoxazole-5-carboxamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=NO2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=NO2

InChI

InChI=1S/C16H19N3O2S/c1-2-3-4-5-12-6-8-13(9-7-12)18-16(22)19-15(20)14-10-11-17-21-14/h6-11H,2-5H2,1H3,(H2,18,19,20,22)