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

Systemtic Name: 2-methoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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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=C2OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H23N3O3S/c1-13(2)12-18(24)21-14-8-10-15(11-9-14)22-20(27)23-19(25)16-6-4-5-7-17(16)26-3/h4-11,13H,12H2,1-3H3,(H,21,24)(H2,22,23,25,27)