4-butoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C

InChI

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