N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

InChI

InChI=1S/C21H25N3O3S/c1-4-12-27-18-11-6-5-10-17(18)20(26)24-21(28)23-16-9-7-8-15(13-16)22-19(25)14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)(H2,23,24,26,28)