4-[(2R)-butan-2-yl]oxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-[(2R)-butan-2-yl]oxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-[(1R)-1-methylpropoxy]-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-[(2R)-butan-2-yl]oxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(2R)-butan-2-yl]oxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-[(1R)-1-methylpropoxy]-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-4-6-10-21(27)24-18-8-7-9-19(15-18)25-23(30)26-22(28)17-11-13-20(14-12-17)29-16(3)5-2/h7-9,11-16H,4-6,10H2,1-3H3,(H,24,27)(H2,25,26,28,30)/t16-/m1/s1