3-(3-methylbutanoylcarbamothioylamino)-N-(phenylmethyl)benzamide

Systemtic Name: 3-(3-methylbutanoylcarbamothioylamino)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-(3-methylbutanoylcarbamothioylamino)benzamide CAS Name: 3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-(3-methylbutanoylcarbamothioylamino)benzamide Traditional Name: N-benzyl-3-(isovalerylthiocarbamoylamino)benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O2S/c1-14(2)11-18(24)23-20(26)22-17-10-6-9-16(12-17)19(25)21-13-15-7-4-3-5-8-15/h3-10,12,14H,11,13H2,1-2H3,(H,21,25)(H2,22,23,24,26)