2-[methyl(3-methylbutanoylcarbamothioyl)amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[methyl(3-methylbutanoylcarbamothioyl)amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[methyl(3-methylbutanoylcarbamothioyl)amino]benzamide CAS Name: 2-[methyl-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[methyl(3-methylbutanoylcarbamothioyl)amino]benzamide Traditional Name: N-benzyl-2-[isovalerylthiocarbamoyl(methyl)amino]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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