4-(3-methylbutoxy)-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-(3-methylbutoxy)-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-isoamoxy-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

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