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

Systemtic Name: 3-ethoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

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