N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(ON=C2C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O4S/c1-3-13-29-17-11-9-16(10-12-17)20(27)23-22(31)25-24-21(28)18-14(2)30-26-19(18)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,24,28)(H2,23,25,27,31)