N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butan-2-yloxy-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butan-2-yloxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-sec-butoxy-benzamide CAS Name: 3-butan-2-yloxy-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butan-2-yloxybenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-sec-butoxy-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-8-20(26)23-17-10-7-11-18(14-17)24-22(29)25-21(27)16-9-6-12-19(13-16)28-15(3)5-2/h6-7,9-15H,4-5,8H2,1-3H3,(H,23,26)(H2,24,25,27,29)