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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

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