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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

InChI

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