N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-[(2R)-butan-2-yl]oxy-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-[(2R)-butan-2-yl]oxy-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-[(1R)-1-methylpropoxy]benzamide CAS Name: 4-[(2R)-butan-2-yl]oxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-[(2R)-butan-2-yl]oxybenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-4-[(1R)-1-methylpropoxy]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)CC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)O[C@H](C)CC

InChI

InChI=1S/C22H27N3O3S/c1-4-6-20(26)23-17-9-11-18(12-10-17)24-22(29)25-21(27)16-7-13-19(14-8-16)28-15(3)5-2/h7-15H,4-6H2,1-3H3,(H,23,26)(H2,24,25,27,29)/t15-/m1/s1