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

Systemtic Name: 3-methyl-N-[(4-pentylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-methyl-N-[(4-pentylphenyl)carbamothioyl]isoxazole-4-carboxamide CAS Name: 3-methyl-N-[(4-pentylanilino)-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-methyl-N-[(4-pentylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-3-methyl-isoxazole-4-carboxamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CON=C2C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CON=C2C

InChI

InChI=1S/C17H21N3O2S/c1-3-4-5-6-13-7-9-14(10-8-13)18-17(23)19-16(21)15-11-22-20-12(15)2/h7-11H,3-6H2,1-2H3,(H2,18,19,21,23)