N-(3,4-dimethylphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-(isovalerylthiocarbamoylamino)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CC(C)C)C

InChI

InChI=1S/C21H25N3O2S/c1-13(2)11-19(25)24-21(27)23-18-8-6-5-7-17(18)20(26)22-16-10-9-14(3)15(4)12-16/h5-10,12-13H,11H2,1-4H3,(H,22,26)(H2,23,24,25,27)