N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)CC

InChI

InChI=1S/C21H25N3O3S/c1-4-13-27-16-11-9-15(10-12-16)20(26)24-21(28)23-18-8-6-7-17(14(18)3)22-19(25)5-2/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H2,23,24,26,28)