N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

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