3-(2-methylpropoxy)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C22H27N3O4S/c1-4-12-28-19-11-6-5-10-18(19)21(27)24-25-22(30)23-20(26)16-8-7-9-17(13-16)29-14-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,24,27)(H2,23,25,26,30)