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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: 3-(2-methylpropoxy)-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-isobutoxy-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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-7-20(26)23-17-9-6-10-18(13-17)24-22(29)25-21(27)16-8-5-11-19(12-16)28-14-15(2)3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,23,26)(H2,24,25,27,29)