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

Systemtic Name: 3-methyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-methyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-methyl-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C20H23N3O2S/c1-13(2)11-18(24)21-16-7-9-17(10-8-16)22-20(26)23-19(25)15-6-4-5-14(3)12-15/h4-10,12-13H,11H2,1-3H3,(H,21,24)(H2,22,23,25,26)