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

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21N3O2S/c1-13(2)12-17(23)20-15-8-10-16(11-9-15)21-19(25)22-18(24)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,20,23)(H2,21,22,24,25)