2-(3-methylbutanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-14(2)13-19(25)24-21(27)23-18-12-8-7-11-17(18)20(26)22-15(3)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,26)(H2,23,24,25,27)