N-butan-2-yl-2-(3-methylbutanoylcarbamothioylamino)benzamide

Systemtic Name: N-butan-2-yl-2-(3-methylbutanoylcarbamothioylamino)benzamide Openeye Name: 2-(3-methylbutanoylcarbamothioylamino)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: 2-(isovalerylthiocarbamoylamino)-N-sec-butyl-benzamide Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C17H25N3O2S/c1-5-12(4)18-16(22)13-8-6-7-9-14(13)19-17(23)20-15(21)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,22)(H2,19,20,21,23)