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

Systemtic Name: 3-[(2R)-butan-2-yl]oxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-[(1R)-1-methylpropoxy]benzamide CAS Name: 3-[(2R)-butan-2-yl]oxy-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-[(2R)-butan-2-yl]oxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-3-[(1R)-1-methylpropoxy]benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-5-7-11-22(28)26-20-13-12-18(15-21(20)30-4)25-24(32)27-23(29)17-9-8-10-19(14-17)31-16(3)6-2/h8-10,12-16H,5-7,11H2,1-4H3,(H,26,28)(H2,25,27,29,32)/t16-/m1/s1