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

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C24H31N3O3S/c1-4-5-8-15-30-21-10-7-6-9-20(21)23(29)27-24(31)26-19-13-11-18(12-14-19)25-22(28)16-17(2)3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,25,28)(H2,26,27,29,31)