N-[[2-[4-[(2R)-butan-2-yl]phenoxy]ethanoylamino]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[2-[4-[(2R)-butan-2-yl]phenoxy]ethanoylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 4-ethoxy-N-[[[2-[4-[(1R)-1-methylpropyl]phenoxy]acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-[4-[(2R)-butan-2-yl]phenoxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: 4-ethoxy-N-[[[2-[4-[(1R)-1-methylpropyl]phenoxy]acetyl]amino]thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CC[C@@H](C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H27N3O4S/c1-4-15(3)16-6-10-19(11-7-16)29-14-20(26)24-25-22(30)23-21(27)17-8-12-18(13-9-17)28-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,24,26)(H2,23,25,27,30)/t15-/m1/s1