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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C24H31N3O3S/c1-4-5-6-15-30-21-13-7-18(8-14-21)23(29)27-24(31)26-20-11-9-19(10-12-20)25-22(28)16-17(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H,25,28)(H2,26,27,29,31)