N-butyl-3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-butyl-3-[[2-(o-tolyl)acetyl]carbamothioylamino]benzamide CAS Name: N-butyl-3-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-butyl-3-[[2-(o-tolyl)acetyl]thiocarbamoylamino]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

InChI

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