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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)C

InChI

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