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

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[3-(pivaloylamino)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=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-5-6-7-15-30-20-13-11-17(12-14-20)21(28)27-23(31)26-19-10-8-9-18(16-19)25-22(29)24(2,3)4/h8-14,16H,5-7,15H2,1-4H3,(H,25,29)(H2,26,27,28,31)