2-[2,2-dimethylpropanoylcarbamothioyl(methyl)amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2,2-dimethylpropanoylcarbamothioyl(methyl)amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[2,2-dimethylpropanoylcarbamothioyl(methyl)amino]benzamide CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[2,2-dimethylpropanoylcarbamothioyl(methyl)amino]benzamide Traditional Name: N-benzyl-2-[methyl(pivaloylthiocarbamoyl)amino]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCC2=CC=CC=C2

InChI

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