3-(2-methylpropoxy)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-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(=CC=C2)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-4-5-12-21(27)24-18-9-7-10-19(14-18)25-23(30)26-22(28)17-8-6-11-20(13-17)29-15-16(2)3/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H,24,27)(H2,25,26,28,30)