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

Systemtic Name: N-(3,4-dimethylphenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)benzamide CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(2,2-dimethylpropanoylcarbamothioylamino)benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-(pivaloylthiocarbamoylamino)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)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-13-10-11-15(12-14(13)2)22-18(25)16-8-6-7-9-17(16)23-20(27)24-19(26)21(3,4)5/h6-12H,1-5H3,(H,22,25)(H2,23,24,26,27)